ethane;19-fluoro-11-hydroxy-20-methyl-10-methylsulfanyl-8-oxa-4,16-diazahexacyclo[15.7.1.02,15.04,14.06,12.021,25]pentacosa-1,6(12),13,15,17,19,21(25)-heptaene-5,9-dione;N-methylmethanamine;methylsulfanylmethane

C30H40FN3O4S2 — CID 171636250

About ethane;19-fluoro-11-hydroxy-20-methyl-10-methylsulfanyl-8-oxa-4,16-diazahexacyclo[15.7.1.02,15.04,14.06,12.021,25]pentacosa-1,6(12),13,15,17,19,21(25)-heptaene-5,9-dione;N-methylmethanamine;methylsulfanylmethane

ethane;19-fluoro-11-hydroxy-20-methyl-10-methylsulfanyl-8-oxa-4,16-diazahexacyclo[15.7.1.02,15.04,14.06,12.021,25]pentacosa-1,6(12),13,15,17,19,21(25)-heptaene-5,9-dione;N-methylmethanamine;methylsulfanylmethane (PubChem CID 171636250) has the molecular formula C30H40FN3O4S2 and a molecular weight of 589.80 g/mol. Its IUPAC name is ethane;19-fluoro-11-hydroxy-20-methyl-10-methylsulfanyl-8-oxa-4,16-diazahexacyclo[15.7.1.02,15.04,14.06,12.021,25]pentacosa-1,6(12),13,15,17,19,21(25)-heptaene-5,9-dione;N-methylmethanamine;methylsulfanylmethane.

Molecular Properties

• Compound Name: ethane;19-fluoro-11-hydroxy-20-methyl-10-methylsulfanyl-8-oxa-4,16-diazahexacyclo[15.7.1.02,15.04,14.06,12.021,25]pentacosa-1,6(12),13,15,17,19,21(25)-heptaene-5,9-dione;N-methylmethanamine;methylsulfanylmethane
• PubChem CID: 171636250
• Molecular Formula: C30H40FN3O4S2
• Molecular Weight: 589.80 g/mol
• Exact Mass: 589.24
• IUPAC Name: ethane;19-fluoro-11-hydroxy-20-methyl-10-methylsulfanyl-8-oxa-4,16-diazahexacyclo[15.7.1.02,15.04,14.06,12.021,25]pentacosa-1,6(12),13,15,17,19,21(25)-heptaene-5,9-dione;N-methylmethanamine;methylsulfanylmethane
• SMILES: CC.CNC.CSC.CSC1C(=O)OCc2c(cc3n(c2=O)Cc2c-3nc3cc(F)c(C)c4c3c2CCC4)C1O
• InChI: InChI=1S/C24H21FN2O4S.C2H7N.C2H6S.C2H6/c1-10-11-4-3-5-12-14-8-27-18(20(14)26-17(19(11)12)7-16(10)25)6-13-15(23(27)29)9-31-24(30)22(32-2)21(13)28;2*1-3-2;1-2/h6-7,21-22,28H,3-5,8-9H2,1-2H3;3H,1-2H3;1-2H3;1-2H3
• InChIKey: AGMAXAQZNNNTNN-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 93.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 1
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.80
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethane;19-fluoro-11-hydroxy-20-methyl-10-methylsulfanyl-8-oxa-4,16-diazahexacyclo[15.7.1.02,15.04,14.06,12.021,25]pentacosa-1,6(12),13,15,17,19,21(25)-heptaene-5,9-dione;N-methylmethanamine;methylsulfanylmethane?

The IUPAC name of ethane;19-fluoro-11-hydroxy-20-methyl-10-methylsulfanyl-8-oxa-4,16-diazahexacyclo[15.7.1.02,15.04,14.06,12.021,25]pentacosa-1,6(12),13,15,17,19,21(25)-heptaene-5,9-dione;N-methylmethanamine;methylsulfanylmethane (CID 171636250) is ethane;19-fluoro-11-hydroxy-20-methyl-10-methylsulfanyl-8-oxa-4,16-diazahexacyclo[15.7.1.02,15.04,14.06,12.021,25]pentacosa-1,6(12),13,15,17,19,21(25)-heptaene-5,9-dione;N-methylmethanamine;methylsulfanylmethane.

What is the SMILES notation for ethane;19-fluoro-11-hydroxy-20-methyl-10-methylsulfanyl-8-oxa-4,16-diazahexacyclo[15.7.1.02,15.04,14.06,12.021,25]pentacosa-1,6(12),13,15,17,19,21(25)-heptaene-5,9-dione;N-methylmethanamine;methylsulfanylmethane?

The canonical SMILES for ethane;19-fluoro-11-hydroxy-20-methyl-10-methylsulfanyl-8-oxa-4,16-diazahexacyclo[15.7.1.02,15.04,14.06,12.021,25]pentacosa-1,6(12),13,15,17,19,21(25)-heptaene-5,9-dione;N-methylmethanamine;methylsulfanylmethane is CC.CNC.CSC.CSC1C(=O)OCc2c(cc3n(c2=O)Cc2c-3nc3cc(F)c(C)c4c3c2CCC4)C1O.

What is the InChIKey of ethane;19-fluoro-11-hydroxy-20-methyl-10-methylsulfanyl-8-oxa-4,16-diazahexacyclo[15.7.1.02,15.04,14.06,12.021,25]pentacosa-1,6(12),13,15,17,19,21(25)-heptaene-5,9-dione;N-methylmethanamine;methylsulfanylmethane?

The InChIKey is AGMAXAQZNNNTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4S.C2H7N.C2H6S.C2H6/c1-10-11-4-3-5-12-14-8-27-18(20(14)26-17(19(11)12)7-16(10)25)6-13-15(23(27)29)9-31-24(30)22(32-2)21(13)28;2*1-3-2;1-2/h6-7,21-22,28H,3-5,8-9H2,1-2H3;3H,1-2H3;1-2H3;1-2H3.

What are the key properties of ethane;19-fluoro-11-hydroxy-20-methyl-10-methylsulfanyl-8-oxa-4,16-diazahexacyclo[15.7.1.02,15.04,14.06,12.021,25]pentacosa-1,6(12),13,15,17,19,21(25)-heptaene-5,9-dione;N-methylmethanamine;methylsulfanylmethane?

ethane;19-fluoro-11-hydroxy-20-methyl-10-methylsulfanyl-8-oxa-4,16-diazahexacyclo[15.7.1.02,15.04,14.06,12.021,25]pentacosa-1,6(12),13,15,17,19,21(25)-heptaene-5,9-dione;N-methylmethanamine;methylsulfanylmethane has a molecular weight of 589.80 g/mol, XLogP of 5.02, 1 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;19-fluoro-11-hydroxy-20-methyl-10-methylsulfanyl-8-oxa-4,16-diazahexacyclo[15.7.1.02,15.04,14.06,12.021,25]pentacosa-1,6(12),13,15,17,19,21(25)-heptaene-5,9-dione;N-methylmethanamine;methylsulfanylmethane is sourced from PubChem (CID 171636250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).