N-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline

C16H26N2O2S — CID 63761232

IUPACN-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccccc1NC1(CN)CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-2-12-21(19,20)15-9-5-4-8-14(15)18-16(13-17)10-6-3-7-11-16/h4-5,8-9,18H,2-3,6-7,10-13,17H2,1H3
InChIKeyBANXJFXENLWIEI-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.94
Rot. Bonds6

About N-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline

N-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline (PubChem CID 63761232) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline
PubChem CID63761232
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccccc1NC1(CN)CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-2-12-21(19,20)15-9-5-4-8-14(15)18-16(13-17)10-6-3-7-11-16/h4-5,8-9,18H,2-3,6-7,10-13,17H2,1H3
InChIKeyBANXJFXENLWIEI-UHFFFAOYSA-N
XLogP2.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-2-ethylsulfonylaniline
CID 63760205
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline
CID 63760412
N-ethyl-2-propylsulfonylaniline
CID 43453634
2-[[1-(aminomethyl)cyclopentyl]amino]benzamide
CID 63887827
1-[(2-propylsulfonylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115445689
N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline
CID 65384494
1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine
CID 106738112
N-(cyclobutylmethyl)-2-propylsulfonylaniline
CID 43383343
1-[(2-propylsulfonylphenoxy)methyl]cyclohexan-1-amine
CID 64572117
2-propylsulfonyl-N-prop-2-ynylaniline
CID 62141091
2-(2-propylsulfonylanilino)acetic acid
CID 43453612
N-[(1,1-dioxothiolan-2-yl)methyl]-2-propylsulfonylaniline
CID 81041514

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline (CID 63761232) is N-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline is CCCS(=O)(=O)c1ccccc1NC1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline?
The InChIKey is BANXJFXENLWIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-2-12-21(19,20)15-9-5-4-8-14(15)18-16(13-17)10-6-3-7-11-16/h4-5,8-9,18H,2-3,6-7,10-13,17H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline?
N-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline has a molecular weight of 310.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-2-propylsulfonylaniline is sourced from PubChem (CID 63761232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).