3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide

C13H20N2O2S — CID 60874157

IUPAC3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C13H20N2O2S/c1-2-13(14)11-4-3-5-12(8-11)18(16,17)15-9-10-6-7-10/h3-5,8,10,13,15H,2,6-7,9,14H2,1H3
InChIKeyRNVYKYPNMLLVNE-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.78
Rot. Bonds6

About 3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide

3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide (PubChem CID 60874157) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide
PubChem CID60874157
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C13H20N2O2S/c1-2-13(14)11-4-3-5-12(8-11)18(16,17)15-9-10-6-7-10/h3-5,8,10,13,15H,2,6-7,9,14H2,1H3
InChIKeyRNVYKYPNMLLVNE-UHFFFAOYSA-N
XLogP1.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 60872660
3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414903
N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43507135
2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 60872861
ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate
CID 61499264
3-(1-aminopropyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 103063575
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
3-(1-aminopropyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 60873785
3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 63422973
3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80743494

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide (CID 60874157) is 3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide is CCC(N)c1cccc(S(=O)(=O)NCC2CC2)c1.
What is the InChIKey of 3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide?
The InChIKey is RNVYKYPNMLLVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-13(14)11-4-3-5-12(8-11)18(16,17)15-9-10-6-7-10/h3-5,8,10,13,15H,2,6-7,9,14H2,1H3.
What are the key properties of 3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide?
3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 60874157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).