N-(piperidin-4-ylmethyl)azepane-1-sulfonamide

C12H25N3O2S — CID 28784805

IUPACN-(piperidin-4-ylmethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCC1CCNCC1)N1CCCCCC1
InChIInChI=1S/C12H25N3O2S/c16-18(17,15-9-3-1-2-4-10-15)14-11-12-5-7-13-8-6-12/h12-14H,1-11H2
InChIKeyWUVMEVWYHIWLIY-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.70
Rot. Bonds4

About N-(piperidin-4-ylmethyl)azepane-1-sulfonamide

N-(piperidin-4-ylmethyl)azepane-1-sulfonamide (PubChem CID 28784805) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)azepane-1-sulfonamide
PubChem CID28784805
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-(piperidin-4-ylmethyl)azepane-1-sulfonamide
SMILESO=S(=O)(NCC1CCNCC1)N1CCCCCC1
InChIInChI=1S/C12H25N3O2S/c16-18(17,15-9-3-1-2-4-10-15)14-11-12-5-7-13-8-6-12/h12-14H,1-11H2
InChIKeyWUVMEVWYHIWLIY-UHFFFAOYSA-N
XLogP0.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)azepane-1-sulfonamide?
The IUPAC name of N-(piperidin-4-ylmethyl)azepane-1-sulfonamide (CID 28784805) is N-(piperidin-4-ylmethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)azepane-1-sulfonamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)azepane-1-sulfonamide is O=S(=O)(NCC1CCNCC1)N1CCCCCC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)azepane-1-sulfonamide?
The InChIKey is WUVMEVWYHIWLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c16-18(17,15-9-3-1-2-4-10-15)14-11-12-5-7-13-8-6-12/h12-14H,1-11H2.
What are the key properties of N-(piperidin-4-ylmethyl)azepane-1-sulfonamide?
N-(piperidin-4-ylmethyl)azepane-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)azepane-1-sulfonamide is sourced from PubChem (CID 28784805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).