N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide

C13H28N2O3S — CID 103836469

IUPACN-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H28N2O3S/c1-3-5-13(7-9-16)10-14-19(17,18)15-8-4-6-12(2)11-15/h12-14,16H,3-11H2,1-2H3
InChIKeyDFDVAWYXOLPLBS-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.35
Rot. Bonds8

About N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide

N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 103836469) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide
PubChem CID103836469
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H28N2O3S/c1-3-5-13(7-9-16)10-14-19(17,18)15-8-4-6-12(2)11-15/h12-14,16H,3-11H2,1-2H3
InChIKeyDFDVAWYXOLPLBS-UHFFFAOYSA-N
XLogP1.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide
CID 103836404
2-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 65221881
3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066565
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 62665582
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-carboxamide
CID 106115923
N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120664457
N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide
CID 43606393
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate
CID 71847849
4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 61244989

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide (CID 103836469) is N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide is CCCC(CCO)CNS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is DFDVAWYXOLPLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-3-5-13(7-9-16)10-14-19(17,18)15-8-4-6-12(2)11-15/h12-14,16H,3-11H2,1-2H3.
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide?
N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 103836469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).