1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide

C16H26N2O2S — CID 106029974

IUPAC1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)Cc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-12(2)13(3)18-21(19,20)11-15-6-4-14(5-7-15)10-17-16-8-9-16/h4-7,12-13,16-18H,8-11H2,1-3H3
InChIKeyHWIONOZUFLCQHX-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.40
Rot. Bonds8

About 1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide

1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide (PubChem CID 106029974) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide
PubChem CID106029974
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)Cc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-12(2)13(3)18-21(19,20)11-15-6-4-14(5-7-15)10-17-16-8-9-16/h4-7,12-13,16-18H,8-11H2,1-3H3
InChIKeyHWIONOZUFLCQHX-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(cyclopropylamino)methyl]phenyl]-N',N'-dimethylmethanesulfonohydrazide
CID 106074813
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
1-[4-[(cyclopropylamino)methyl]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 106032448
N-propan-2-yl-1-[4-[(spiro[3.3]heptan-2-ylamino)methyl]phenyl]methanesulfonamide
CID 131963700
4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61464027
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
CID 60823571
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030014
N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
CID 71015787
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106030004
3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030111
4-chloro-3-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030109

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide?
The IUPAC name of 1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide (CID 106029974) is 1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide?
The canonical SMILES for 1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide is CC(C)C(C)NS(=O)(=O)Cc1ccc(CNC2CC2)cc1.
What is the InChIKey of 1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide?
The InChIKey is HWIONOZUFLCQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12(2)13(3)18-21(19,20)11-15-6-4-14(5-7-15)10-17-16-8-9-16/h4-7,12-13,16-18H,8-11H2,1-3H3.
What are the key properties of 1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide?
1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 106029974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).