4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide

C16H28N2O2S — CID 106919184

IUPAC4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(CC(C)C)CC(C)C)ccc1CN
InChIInChI=1S/C16H28N2O2S/c1-12(2)10-18(11-13(3)4)21(19,20)16-7-6-15(9-17)14(5)8-16/h6-8,12-13H,9-11,17H2,1-5H3
InChIKeyDEFMSLGIXDAPGC-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.76
Rot. Bonds7

About 4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide

4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide (PubChem CID 106919184) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
PubChem CID106919184
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(CC(C)C)CC(C)C)ccc1CN
InChIInChI=1S/C16H28N2O2S/c1-12(2)10-18(11-13(3)4)21(19,20)16-7-6-15(9-17)14(5)8-16/h6-8,12-13H,9-11,17H2,1-5H3
InChIKeyDEFMSLGIXDAPGC-UHFFFAOYSA-N
XLogP2.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587375
4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106919163
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 106919187
4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide
CID 106919113
4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 106833094
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide
CID 106919288
3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587373
(4-ethylsulfonyl-2-methylphenyl)methanamine
CID 112594406
4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide
CID 106919334
4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106919156
4-[4-[bis(2-methylpropyl)sulfamoyl]phenoxy]-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166402119
4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 19682262

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide (CID 106919184) is 4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(CC(C)C)CC(C)C)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The InChIKey is DEFMSLGIXDAPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-12(2)10-18(11-13(3)4)21(19,20)16-7-6-15(9-17)14(5)8-16/h6-8,12-13H,9-11,17H2,1-5H3.
What are the key properties of 4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 106919184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).