1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide

C11H22N2O2S — CID 70331886

IUPAC1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)N[C@@H]1CCNC1
InChIInChI=1S/C11H22N2O2S/c14-16(15,13-11-6-7-12-8-11)9-10-4-2-1-3-5-10/h10-13H,1-9H2/t11-/m1/s1
InChIKeyURDXTBMHSABFBE-LLVKDONJSA-N
MW246.38 g/mol
LogP0.85
Rot. Bonds4

About 1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide

1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide (PubChem CID 70331886) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
PubChem CID70331886
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)N[C@@H]1CCNC1
InChIInChI=1S/C11H22N2O2S/c14-16(15,13-11-6-7-12-8-11)9-10-4-2-1-3-5-10/h10-13H,1-9H2/t11-/m1/s1
InChIKeyURDXTBMHSABFBE-LLVKDONJSA-N
XLogP0.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide (CID 70331886) is 1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide is O=S(=O)(CC1CCCCC1)N[C@@H]1CCNC1.
What is the InChIKey of 1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is URDXTBMHSABFBE-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22N2O2S/c14-16(15,13-11-6-7-12-8-11)9-10-4-2-1-3-5-10/h10-13H,1-9H2/t11-/m1/s1.
What are the key properties of 1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide?
1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 246.38 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70331886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).