N-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide

C10H19N3O2S — CID 61122065

IUPACN-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide
SMILESCCC(C#N)NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C10H19N3O2S/c1-3-10(7-11)12-16(14,15)13-6-4-5-9(2)8-13/h9-10,12H,3-6,8H2,1-2H3
InChIKeyMAPSNIWYLLRTLY-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.85
Rot. Bonds4

About N-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide

N-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 61122065) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide
PubChem CID61122065
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide
SMILESCCC(C#N)NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C10H19N3O2S/c1-3-10(7-11)12-16(14,15)13-6-4-5-9(2)8-13/h9-10,12H,3-6,8H2,1-2H3
InChIKeyMAPSNIWYLLRTLY-UHFFFAOYSA-N
XLogP0.85
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide (CID 61122065) is N-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide is CCC(C#N)NS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is MAPSNIWYLLRTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-3-10(7-11)12-16(14,15)13-6-4-5-9(2)8-13/h9-10,12H,3-6,8H2,1-2H3.
What are the key properties of N-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide?
N-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 61122065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).