2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol

C16H25NOS — CID 103784852

IUPAC2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol
SMILESCSCC(C)(O)CNC1CCCCc2ccccc21
InChIInChI=1S/C16H25NOS/c1-16(18,12-19-2)11-17-15-10-6-4-8-13-7-3-5-9-14(13)15/h3,5,7,9,15,17-18H,4,6,8,10-12H2,1-2H3
InChIKeyRRGDNRFNTYRWHB-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.16
Rot. Bonds5

About 2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol

2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol (PubChem CID 103784852) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol
PubChem CID103784852
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol
SMILESCSCC(C)(O)CNC1CCCCc2ccccc21
InChIInChI=1S/C16H25NOS/c1-16(18,12-19-2)11-17-15-10-6-4-8-13-7-3-5-9-14(13)15/h3,5,7,9,15,17-18H,4,6,8,10-12H2,1-2H3
InChIKeyRRGDNRFNTYRWHB-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol with MolForge

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Related Compounds

4-methoxy-2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
CID 103784290
N,N,2,2-tetramethyl-N'-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
CID 43102852
N-(2-methyl-2-methylsulfonylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79552399
(2R)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 97322714
N-(3-methylsulfanylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63981040
1-(2,3-dihydro-1H-inden-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 113261872
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
CID 103922340
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
N-tert-butyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 115889370
4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol
CID 106349083
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436249

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol (CID 103784852) is 2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol is CSCC(C)(O)CNC1CCCCc2ccccc21.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol?
The InChIKey is RRGDNRFNTYRWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-16(18,12-19-2)11-17-15-10-6-4-8-13-7-3-5-9-14(13)15/h3,5,7,9,15,17-18H,4,6,8,10-12H2,1-2H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol?
2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol has a molecular weight of 279.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-2-ol is sourced from PubChem (CID 103784852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).