3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide

C16H23N3O3S — CID 119423037

IUPAC3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
SMILESNCC1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1
InChIInChI=1S/C16H23N3O3S/c17-11-12-6-8-19(9-7-12)16(20)13-2-1-3-15(10-13)23(21,22)18-14-4-5-14/h1-3,10,12,14,18H,4-9,11,17H2
InChIKeyVGGRDGBHWVDPQM-UHFFFAOYSA-N
MW337.44 g/mol
LogP0.94
Rot. Bonds5

About 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide

3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide (PubChem CID 119423037) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
PubChem CID119423037
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
SMILESNCC1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1
InChIInChI=1S/C16H23N3O3S/c17-11-12-6-8-19(9-7-12)16(20)13-2-1-3-15(10-13)23(21,22)18-14-4-5-14/h1-3,10,12,14,18H,4-9,11,17H2
InChIKeyVGGRDGBHWVDPQM-UHFFFAOYSA-N
XLogP0.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide (CID 119423037) is 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide is NCC1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1.
What is the InChIKey of 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
The InChIKey is VGGRDGBHWVDPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c17-11-12-6-8-19(9-7-12)16(20)13-2-1-3-15(10-13)23(21,22)18-14-4-5-14/h1-3,10,12,14,18H,4-9,11,17H2.
What are the key properties of 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide has a molecular weight of 337.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 119423037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).