N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide

C13H26N2O3S — CID 115867678

IUPACN-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)CC2(O)CCCC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-12-5-9-15(10-6-12)19(17,18)14(2)11-13(16)7-3-4-8-13/h12,16H,3-11H2,1-2H3
InChIKeyDOMYQQBOAZOLNP-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.20
Rot. Bonds4

About N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide

N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide (PubChem CID 115867678) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide
PubChem CID115867678
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)CC2(O)CCCC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-12-5-9-15(10-6-12)19(17,18)14(2)11-13(16)7-3-4-8-13/h12,16H,3-11H2,1-2H3
InChIKeyDOMYQQBOAZOLNP-UHFFFAOYSA-N
XLogP1.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide (CID 115867678) is N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)N(C)CC2(O)CCCC2)CC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide?
The InChIKey is DOMYQQBOAZOLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-12-5-9-15(10-6-12)19(17,18)14(2)11-13(16)7-3-4-8-13/h12,16H,3-11H2,1-2H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide?
N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 115867678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).