N-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide

C12H24N2O3S — CID 65112793

IUPACN-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NCC1(O)CCCC1)N1CCCCCC1
InChIInChI=1S/C12H24N2O3S/c15-12(7-3-4-8-12)11-13-18(16,17)14-9-5-1-2-6-10-14/h13,15H,1-11H2
InChIKeyLXUVFVQUMOXZIU-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.00
Rot. Bonds4

About N-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide

N-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide (PubChem CID 65112793) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide
PubChem CID65112793
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NCC1(O)CCCC1)N1CCCCCC1
InChIInChI=1S/C12H24N2O3S/c15-12(7-3-4-8-12)11-13-18(16,17)14-9-5-1-2-6-10-14/h13,15H,1-11H2
InChIKeyLXUVFVQUMOXZIU-UHFFFAOYSA-N
XLogP1.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-N-methylazepane-1-sulfonamide
CID 75394728
N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 65112740
1-[(Dimethylsulfamoylamino)methyl]-1-hydroxycyclopentane
CID 65112792
N-[(1-hydroxycyclopentyl)methyl]piperidine-1-sulfonamide
CID 65112923
1-Hydroxy-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclopentane
CID 65112927
N-(2-ethyl-2-hydroxybutyl)azepane-1-sulfonamide
CID 65113009
N-[(1-hydroxycyclopentyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 65113058
N-[(1-hydroxycyclopentyl)methyl]pyrrolidine-1-sulfonamide
CID 65113059
N-(2-hydroxy-2-methylbutyl)azepane-1-sulfonamide
CID 65113091
1-[(Dipropylsulfamoylamino)methyl]-1-hydroxycyclopentane
CID 65113155
1-[(Diethylsulfamoylamino)methyl]-1-hydroxycyclopentane
CID 65113199
N-[(1-hydroxycyclopentyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 65113330

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide (CID 65112793) is N-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide is O=S(=O)(NCC1(O)CCCC1)N1CCCCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide?
The InChIKey is LXUVFVQUMOXZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c15-12(7-3-4-8-12)11-13-18(16,17)14-9-5-1-2-6-10-14/h13,15H,1-11H2.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide?
N-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]azepane-1-sulfonamide is sourced from PubChem (CID 65112793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).