N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide

C14H27N3O3S — CID 95154417

IUPACN-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
SMILESCS(=O)(=O)NC[C@H]1CCCCN1CC(=O)NC1CCCC1
InChIInChI=1S/C14H27N3O3S/c1-21(19,20)15-10-13-8-4-5-9-17(13)11-14(18)16-12-6-2-3-7-12/h12-13,15H,2-11H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyQUBCOGNMHNVHSH-CYBMUJFWSA-N
MW317.46 g/mol
LogP0.45
Rot. Bonds6

About N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide

N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide (PubChem CID 95154417) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
PubChem CID95154417
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
SMILESCS(=O)(=O)NC[C@H]1CCCCN1CC(=O)NC1CCCC1
InChIInChI=1S/C14H27N3O3S/c1-21(19,20)15-10-13-8-4-5-9-17(13)11-14(18)16-12-6-2-3-7-12/h12-13,15H,2-11H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyQUBCOGNMHNVHSH-CYBMUJFWSA-N
XLogP0.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide (CID 95154417) is N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide is CS(=O)(=O)NC[C@H]1CCCCN1CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide?
The InChIKey is QUBCOGNMHNVHSH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-21(19,20)15-10-13-8-4-5-9-17(13)11-14(18)16-12-6-2-3-7-12/h12-13,15H,2-11H2,1H3,(H,16,18)/t13-/m1/s1.
What are the key properties of N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide?
N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide has a molecular weight of 317.46 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95154417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).