3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide

C13H18N2O2S — CID 113498468

IUPAC3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCC2(C3CC3)CC2)c1
InChIInChI=1S/C13H18N2O2S/c14-11-2-1-3-12(8-11)18(16,17)15-9-13(6-7-13)10-4-5-10/h1-3,8,10,15H,4-7,9,14H2
InChIKeyCDMOFXAFAYQSHY-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.74
Rot. Bonds5

About 3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide

3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 113498468) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
PubChem CID113498468
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCC2(C3CC3)CC2)c1
InChIInChI=1S/C13H18N2O2S/c14-11-2-1-3-12(8-11)18(16,17)15-9-13(6-7-13)10-4-5-10/h1-3,8,10,15H,4-7,9,14H2
InChIKeyCDMOFXAFAYQSHY-UHFFFAOYSA-N
XLogP1.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
CID 103838022
3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 113498452
3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113498451
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104868491
2-[(3-aminophenyl)sulfonylamino]ethylurea
CID 83116064
2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 103838013
3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63983724
3-amino-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 54907983
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 103838056
3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79551722
3-amino-N-(oxan-4-yl)benzenesulfonamide
CID 43609614
3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide (CID 113498468) is 3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide is Nc1cccc(S(=O)(=O)NCC2(C3CC3)CC2)c1.
What is the InChIKey of 3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is CDMOFXAFAYQSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c14-11-2-1-3-12(8-11)18(16,17)15-9-13(6-7-13)10-4-5-10/h1-3,8,10,15H,4-7,9,14H2.
What are the key properties of 3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide?
3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 113498468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).