1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine

C12H23F3N4O2S — CID 120778370

IUPAC1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine
SMILESCN(CC1CC1)S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H23F3N4O2S/c1-18(9-10-2-3-10)22(20,21)17-8-11(12(13,14)15)19-6-4-16-5-7-19/h10-11,16-17H,2-9H2,1H3
InChIKeyWWFPDPGJWXEUNB-UHFFFAOYSA-N
MW344.40 g/mol
LogP-0.00
Rot. Bonds7

About 1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine

1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine (PubChem CID 120778370) has the molecular formula C12H23F3N4O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine.

Molecular Properties

Compound Name1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine
PubChem CID120778370
Molecular FormulaC12H23F3N4O2S
Molecular Weight344.40 g/mol
Exact Mass344.15
IUPAC Name1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine
SMILESCN(CC1CC1)S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H23F3N4O2S/c1-18(9-10-2-3-10)22(20,21)17-8-11(12(13,14)15)19-6-4-16-5-7-19/h10-11,16-17H,2-9H2,1H3
InChIKeyWWFPDPGJWXEUNB-UHFFFAOYSA-N
XLogP-0.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine?
The IUPAC name of 1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine (CID 120778370) is 1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine.
What is the SMILES notation for 1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine?
The canonical SMILES for 1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine is CN(CC1CC1)S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine?
The InChIKey is WWFPDPGJWXEUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4O2S/c1-18(9-10-2-3-10)22(20,21)17-8-11(12(13,14)15)19-6-4-16-5-7-19/h10-11,16-17H,2-9H2,1H3.
What are the key properties of 1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine?
1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine has a molecular weight of 344.40 g/mol, XLogP of -0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[cyclopropylmethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropan-2-yl]piperazine is sourced from PubChem (CID 120778370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).