4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide

C12H25N3O2S — CID 106065679

IUPAC4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
SMILESCC(CC1CC1)NS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C12H25N3O2S/c1-10(8-11-2-3-11)14-18(16,17)15-6-4-12(9-13)5-7-15/h10-12,14H,2-9,13H2,1H3
InChIKeyGJKRNXQSKGEKHW-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.68
Rot. Bonds6

About 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide (PubChem CID 106065679) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
PubChem CID106065679
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
SMILESCC(CC1CC1)NS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C12H25N3O2S/c1-10(8-11-2-3-11)14-18(16,17)15-6-4-12(9-13)5-7-15/h10-12,14H,2-9,13H2,1H3
InChIKeyGJKRNXQSKGEKHW-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide
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4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106016881
4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
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(1-ethylsulfonylpiperidin-4-yl)methanamine
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4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
CID 107818664
4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide
CID 106002812
4-(aminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106052859
(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62064103
4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106082713
[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119998739

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide (CID 106065679) is 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide is CC(CC1CC1)NS(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide?
The InChIKey is GJKRNXQSKGEKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-10(8-11-2-3-11)14-18(16,17)15-6-4-12(9-13)5-7-15/h10-12,14H,2-9,13H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106065679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).