N-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide

C11H22N2O3S — CID 66004814

IUPACN-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NCC1CC(O)C1)N1CCCCCC1
InChIInChI=1S/C11H22N2O3S/c14-11-7-10(8-11)9-12-17(15,16)13-5-3-1-2-4-6-13/h10-12,14H,1-9H2
InChIKeyHWPOASMSOPJXKX-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.47
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide

N-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide (PubChem CID 66004814) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide
PubChem CID66004814
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NCC1CC(O)C1)N1CCCCCC1
InChIInChI=1S/C11H22N2O3S/c14-11-7-10(8-11)9-12-17(15,16)13-5-3-1-2-4-6-13/h10-12,14H,1-9H2
InChIKeyHWPOASMSOPJXKX-UHFFFAOYSA-N
XLogP0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide (CID 66004814) is N-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide is O=S(=O)(NCC1CC(O)C1)N1CCCCCC1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide?
The InChIKey is HWPOASMSOPJXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c14-11-7-10(8-11)9-12-17(15,16)13-5-3-1-2-4-6-13/h10-12,14H,1-9H2.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide?
N-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]azepane-1-sulfonamide is sourced from PubChem (CID 66004814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).