1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide

C12H24N2O3S — CID 54947732

IUPAC1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-17-12-8-13-7-11(12)14-18(15,16)9-10-5-3-2-4-6-10/h10-14H,2-9H2,1H3/t11?,12-/m0/s1
InChIKeyWEGRPHIMOKFZKO-KIYNQFGBSA-N
MW276.40 g/mol
LogP0.47
Rot. Bonds5

About 1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide

1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide (PubChem CID 54947732) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide
PubChem CID54947732
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-17-12-8-13-7-11(12)14-18(15,16)9-10-5-3-2-4-6-10/h10-14H,2-9H2,1H3/t11?,12-/m0/s1
InChIKeyWEGRPHIMOKFZKO-KIYNQFGBSA-N
XLogP0.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide (CID 54947732) is 1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide is CO[C@H]1CNCC1NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide?
The InChIKey is WEGRPHIMOKFZKO-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-17-12-8-13-7-11(12)14-18(15,16)9-10-5-3-2-4-6-10/h10-14H,2-9H2,1H3/t11?,12-/m0/s1.
What are the key properties of 1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide?
1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(4S)-4-methoxypyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 54947732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).