1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide

C13H17N3O2S — CID 62664800

IUPAC1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NCCNC2CC2)cc1
InChIInChI=1S/C13H17N3O2S/c14-9-11-1-3-12(4-2-11)10-19(17,18)16-8-7-15-13-5-6-13/h1-4,13,15-16H,5-8,10H2
InChIKeyREHFWOJTEWOPLD-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.73
Rot. Bonds7

About 1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide

1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide (PubChem CID 62664800) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide
PubChem CID62664800
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NCCNC2CC2)cc1
InChIInChI=1S/C13H17N3O2S/c14-9-11-1-3-12(4-2-11)10-19(17,18)16-8-7-15-13-5-6-13/h1-4,13,15-16H,5-8,10H2
InChIKeyREHFWOJTEWOPLD-UHFFFAOYSA-N
XLogP0.73
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79117976
2-[(4-cyanophenyl)methylsulfonylamino]ethylurea
CID 83110980
N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide
CID 113465544
1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide
CID 60697689
1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide
CID 107857409
1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide
CID 106325562
1-(4-cyanophenyl)-N-(1,1-dioxothian-4-yl)methanesulfonamide
CID 43615313
3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031561
1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107418691
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 115307985
1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 106032448
N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide
CID 106441026

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide (CID 62664800) is 1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide is N#Cc1ccc(CS(=O)(=O)NCCNC2CC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide?
The InChIKey is REHFWOJTEWOPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c14-9-11-1-3-12(4-2-11)10-19(17,18)16-8-7-15-13-5-6-13/h1-4,13,15-16H,5-8,10H2.
What are the key properties of 1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide?
1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 62664800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).