3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide

C14H22N2O2S — CID 55001335

IUPAC3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(CC2CC2)C(C)C)c1
InChIInChI=1S/C14H22N2O2S/c1-10(2)16(9-12-4-5-12)19(17,18)14-7-11(3)6-13(15)8-14/h6-8,10,12H,4-5,9,15H2,1-3H3
InChIKeyUDUSVLVKSPZLHV-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.39
Rot. Bonds5

About 3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide

3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 55001335) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID55001335
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(CC2CC2)C(C)C)c1
InChIInChI=1S/C14H22N2O2S/c1-10(2)16(9-12-4-5-12)19(17,18)14-7-11(3)6-13(15)8-14/h6-8,10,12H,4-5,9,15H2,1-3H3
InChIKeyUDUSVLVKSPZLHV-UHFFFAOYSA-N
XLogP2.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 55001042
3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide
CID 43264620
5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
CID 65021026
4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114791532
3-[cyclopropylmethyl(propan-2-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114791530
3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide
CID 43540763
3-(chloromethyl)-N-(cyclopropylmethyl)-4-fluoro-5-methyl-N-propan-2-ylbenzenesulfonamide
CID 81427421
3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61450031
N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 107327941
3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide
CID 43263056
4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 106996837
3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide
CID 61115680

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide (CID 55001335) is 3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)N(CC2CC2)C(C)C)c1.
What is the InChIKey of 3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UDUSVLVKSPZLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(2)16(9-12-4-5-12)19(17,18)14-7-11(3)6-13(15)8-14/h6-8,10,12H,4-5,9,15H2,1-3H3.
What are the key properties of 3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide?
3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 55001335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).