N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide

C16H26N2O2S — CID 61065296

IUPACN-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide
SMILESCC(C)N(c1ccc(CN)cc1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-13(2)18(15-10-8-14(12-17)9-11-15)21(19,20)16-6-4-3-5-7-16/h8-11,13,16H,3-7,12,17H2,1-2H3
InChIKeyOVJRWNYBRCTQLX-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.02
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide

N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide (PubChem CID 61065296) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide
PubChem CID61065296
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide
SMILESCC(C)N(c1ccc(CN)cc1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-13(2)18(15-10-8-14(12-17)9-11-15)21(19,20)16-6-4-3-5-7-16/h8-11,13,16H,3-7,12,17H2,1-2H3
InChIKeyOVJRWNYBRCTQLX-UHFFFAOYSA-N
XLogP3.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
Benzenesulfonamide, 5-amino-N-ethyl-2-methyl-N-phenyl-
CID 96649
2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
1-(Benzylsulfonyl)-4-phenylpiperazine
CID 871639
4-(2-{[4-(Dimethylamino)benzyl]amino}ethyl)benzenesulfonamide hydrochloride
CID 4723880
N-cyclohexyl-4-(diethylamino)benzenecarbothioamide
CID 1263105
N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738589
N-2-(4-(4-aminophenyl)phenyl)propyl 2-propanesulfonamide
CID 10520589
N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide
CID 11782125
N-(4-{[(4-Phenyl-piperazin-2-ylmethyl)-amino]-methyl}-phenyl)-methanesulfonamide
CID 14998846
N-[3-(dibenzylamino)-2-methylphenyl]-2-propanesulfonamide
CID 18512032
N-[3-(dibenzylamino)-2-methylphenyl]ethanesulfonamide
CID 18512117

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide (CID 61065296) is N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide is CC(C)N(c1ccc(CN)cc1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide?
The InChIKey is OVJRWNYBRCTQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13(2)18(15-10-8-14(12-17)9-11-15)21(19,20)16-6-4-3-5-7-16/h8-11,13,16H,3-7,12,17H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide?
N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide is sourced from PubChem (CID 61065296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).