N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide

C13H28N2O3S — CID 103836404

IUPACN-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C13H28N2O3S/c1-2-7-13(8-11-16)12-14-19(17,18)15-9-5-3-4-6-10-15/h13-14,16H,2-12H2,1H3
InChIKeyHQLRQDUPBXBCQG-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.50
Rot. Bonds8

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

N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide (PubChem CID 103836404) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide
PubChem CID103836404
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C13H28N2O3S/c1-2-7-13(8-11-16)12-14-19(17,18)15-9-5-3-4-6-10-15/h13-14,16H,2-12H2,1H3
InChIKeyHQLRQDUPBXBCQG-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide
CID 103836469
N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide
CID 66107139
N-(4-bromo-2-ethylbutyl)azepane-1-sulfonamide
CID 114298844
N-[2-(2-hydroxyethyl)pentyl]cyclopentanesulfonamide
CID 113318737
1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide
CID 106115960
N-ethylazepane-1-sulfonamide
CID 43213421
N-(2,3-dihydroxypropyl)pyrrolidine-1-sulfonamide
CID 66176482
N-(2-chloropropyl)pyrrolidine-1-sulfonamide
CID 65033458
N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide
CID 107158249
N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide
CID 102912990
N-(3-hydroxybutyl)piperidine-1-sulfonamide
CID 64911230
N-[(3R)-3-aminobutyl]azepane-1-sulfonamide
CID 95037628

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide (CID 103836404) is N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide is CCCC(CCO)CNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide?
The InChIKey is HQLRQDUPBXBCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-2-7-13(8-11-16)12-14-19(17,18)15-9-5-3-4-6-10-15/h13-14,16H,2-12H2,1H3.
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide?
N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.50, 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]azepane-1-sulfonamide is sourced from PubChem (CID 103836404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).