1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide

C14H28N2O3S — CID 164635645

IUPAC1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCC1)NCCN1CCC[C@H](CO)C1
InChIInChI=1S/C14H28N2O3S/c17-11-14-6-3-8-16(10-14)9-7-15-20(18,19)12-13-4-1-2-5-13/h13-15,17H,1-12H2/t14-/m0/s1
InChIKeyNRFCWRNKHYESTE-AWEZNQCLSA-N
MW304.46 g/mol
LogP0.80
Rot. Bonds7

About 1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide

1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide (PubChem CID 164635645) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide
PubChem CID164635645
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCC1)NCCN1CCC[C@H](CO)C1
InChIInChI=1S/C14H28N2O3S/c17-11-14-6-3-8-16(10-14)9-7-15-20(18,19)12-13-4-1-2-5-13/h13-15,17H,1-12H2/t14-/m0/s1
InChIKeyNRFCWRNKHYESTE-AWEZNQCLSA-N
XLogP0.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide (CID 164635645) is 1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide is O=S(=O)(CC1CCCC1)NCCN1CCC[C@H](CO)C1.
What is the InChIKey of 1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is NRFCWRNKHYESTE-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H28N2O3S/c17-11-14-6-3-8-16(10-14)9-7-15-20(18,19)12-13-4-1-2-5-13/h13-15,17H,1-12H2/t14-/m0/s1.
What are the key properties of 1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide?
1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 304.46 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 164635645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).