4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide

C15H24N2O2S — CID 106996837

IUPAC4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C15H24N2O2S/c1-11(2)17(10-13-4-5-13)20(18,19)15-7-6-14(9-16)8-12(15)3/h6-8,11,13H,4-5,9-10,16H2,1-3H3
InChIKeyLAMCRLDAPYSBCV-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.26
Rot. Bonds6

About 4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide

4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 106996837) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID106996837
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C15H24N2O2S/c1-11(2)17(10-13-4-5-13)20(18,19)15-7-6-14(9-16)8-12(15)3/h6-8,11,13H,4-5,9-10,16H2,1-3H3
InChIKeyLAMCRLDAPYSBCV-UHFFFAOYSA-N
XLogP2.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107398229
4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 106997085
4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide
CID 106996606
4-(chloromethyl)-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704233
5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
CID 65021026
[3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106996541
N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 107327941
N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylbenzenesulfonamide
CID 55000451
4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997153
4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 55001042
4-(aminomethyl)-N,N-dibutyl-2-methylbenzenesulfonamide
CID 106996655
2-amino-N-(cyclopropylmethyl)-5-nitro-N-propan-2-ylbenzenesulfonamide
CID 62152236

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide (CID 106996837) is 4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide is Cc1cc(CN)ccc1S(=O)(=O)N(CC1CC1)C(C)C.
What is the InChIKey of 4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LAMCRLDAPYSBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)17(10-13-4-5-13)20(18,19)15-7-6-14(9-16)8-12(15)3/h6-8,11,13H,4-5,9-10,16H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide?
4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 106996837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).