5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide

C12H26N2O4S2 — CID 57018256

IUPAC5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide
SMILESCS(=O)(=O)NC(CCC1CCCCC1)CCS(N)(=O)=O
InChIInChI=1S/C12H26N2O4S2/c1-19(15,16)14-12(9-10-20(13,17)18)8-7-11-5-3-2-4-6-11/h11-12,14H,2-10H2,1H3,(H2,13,17,18)
InChIKeyBCPJGXQSKNXVQR-UHFFFAOYSA-N
MW326.48 g/mol
LogP0.94
Rot. Bonds8

About 5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide

5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide (PubChem CID 57018256) has the molecular formula C12H26N2O4S2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide.

Molecular Properties

Compound Name5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide
PubChem CID57018256
Molecular FormulaC12H26N2O4S2
Molecular Weight326.48 g/mol
Exact Mass326.13
IUPAC Name5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide
SMILESCS(=O)(=O)NC(CCC1CCCCC1)CCS(N)(=O)=O
InChIInChI=1S/C12H26N2O4S2/c1-19(15,16)14-12(9-10-20(13,17)18)8-7-11-5-3-2-4-6-11/h11-12,14H,2-10H2,1H3,(H2,13,17,18)
InChIKeyBCPJGXQSKNXVQR-UHFFFAOYSA-N
XLogP0.94
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-2-cyclohexylethanesulfonic acid
CID 10798377
3-Amino-3-cyclohexylpropane-1-sulfonic acid
CID 21666758
1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
CID 72148715
N-(3-ethylcyclohexyl)-3,3-dimethylbutane-1-sulfonamide
CID 91643251
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-(2-amino-1-cyclohexylethyl)-3-fluoropropane-1-sulfonamide
CID 86780702
N-[(1S)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide
CID 99850243
N-[(1R)-2-amino-1-cyclohexylethyl]-3-fluoropropane-1-sulfonamide
CID 99850244
N-[1-(4-fluorocyclohexyl)ethyl]cyclobutanesulfonamide
CID 137956912
3-Amino-3-cyclohexyl-2-fluoro-2-methylpropane-1-sulfonic acid
CID 143236362
2-Amino-2-cyclohexylethane-1-sulfonyl fluoride
CID 165446562
2-Amino-3-cyclohexylpropane-1-sulfonyl fluoride
CID 165604886

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide?
The IUPAC name of 5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide (CID 57018256) is 5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide.
What is the SMILES notation for 5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide?
The canonical SMILES for 5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide is CS(=O)(=O)NC(CCC1CCCCC1)CCS(N)(=O)=O.
What is the InChIKey of 5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide?
The InChIKey is BCPJGXQSKNXVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S2/c1-19(15,16)14-12(9-10-20(13,17)18)8-7-11-5-3-2-4-6-11/h11-12,14H,2-10H2,1H3,(H2,13,17,18).
What are the key properties of 5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide?
5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide has a molecular weight of 326.48 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(methanesulfonamido)pentane-1-sulfonamide is sourced from PubChem (CID 57018256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).