1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide

C12H19N3O2S — CID 114138780

IUPAC1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C12H19N3O2S/c1-10(8-14-12-2-3-12)18(16,17)15-9-11-4-6-13-7-5-11/h4-7,10,12,14-15H,2-3,8-9H2,1H3
InChIKeyORPDQHHGEYSEIQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.64
Rot. Bonds7

About 1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide

1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide (PubChem CID 114138780) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide
PubChem CID114138780
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C12H19N3O2S/c1-10(8-14-12-2-3-12)18(16,17)15-9-11-4-6-13-7-5-11/h4-7,10,12,14-15H,2-3,8-9H2,1H3
InChIKeyORPDQHHGEYSEIQ-UHFFFAOYSA-N
XLogP0.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide
CID 106018688
1-(cyclopropylamino)-N-(3-methylbutyl)propane-2-sulfonamide
CID 106059038
4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65087684
1-(cyclopropylamino)-N-(3-phenoxypropyl)propane-2-sulfonamide
CID 106062024
1-(cyclopropylamino)-N-(4-propylphenyl)propane-2-sulfonamide
CID 106026307
[4-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 103753143
1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086856
1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide
CID 106089017
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
N-(5-bromo-2-pyridinyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106020370
N-(2-pyridin-4-ylethyl)butane-2-sulfonamide
CID 70596181
1-(cyclopropylamino)-N-(1-cyclopropylpropan-2-yl)propane-2-sulfonamide
CID 106065688

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide (CID 114138780) is 1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide is CC(CNC1CC1)S(=O)(=O)NCc1ccncc1.
What is the InChIKey of 1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide?
The InChIKey is ORPDQHHGEYSEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10(8-14-12-2-3-12)18(16,17)15-9-11-4-6-13-7-5-11/h4-7,10,12,14-15H,2-3,8-9H2,1H3.
What are the key properties of 1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide?
1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-(pyridin-4-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 114138780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).