N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide

C16H24N2O2S — CID 106911163

IUPACN-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ccc(CNC2CC2)cc1)C1CCCCC1
InChIInChI=1S/C16H24N2O2S/c19-21(20,16-4-2-1-3-5-16)18-15-8-6-13(7-9-15)12-17-14-10-11-14/h6-9,14,16-18H,1-5,10-12H2
InChIKeyKZLUQUVJCCPLKQ-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.01
Rot. Bonds6

About N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide

N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide (PubChem CID 106911163) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide
PubChem CID106911163
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ccc(CNC2CC2)cc1)C1CCCCC1
InChIInChI=1S/C16H24N2O2S/c19-21(20,16-4-2-1-3-5-16)18-15-8-6-13(7-9-15)12-17-14-10-11-14/h6-9,14,16-18H,1-5,10-12H2
InChIKeyKZLUQUVJCCPLKQ-UHFFFAOYSA-N
XLogP3.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(methylamino)phenyl]cyclohexanesulfonamide
CID 61064598
N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine
CID 106913373
3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid
CID 105360943
N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline
CID 106911133
4-[(cyclohexylamino)methyl]-N-phenylaniline
CID 69114747
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide
CID 105361608
N-(4-formylphenyl)cyclopentanesulfonamide
CID 106912880
N-[4-(1-aminoethyl)phenyl]cyclopentanesulfonamide
CID 105361013
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide
CID 61058963
5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide
CID 106911151
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide
CID 110311233

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide?
The IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide (CID 106911163) is N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide?
The canonical SMILES for N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide is O=S(=O)(Nc1ccc(CNC2CC2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide?
The InChIKey is KZLUQUVJCCPLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-21(20,16-4-2-1-3-5-16)18-15-8-6-13(7-9-15)12-17-14-10-11-14/h6-9,14,16-18H,1-5,10-12H2.
What are the key properties of N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide?
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide is sourced from PubChem (CID 106911163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).