5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide

C16H26N2O2S — CID 106046633

IUPAC5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cc(CNC2CC2)ccc1C
InChIInChI=1S/C16H26N2O2S/c1-4-5-13(3)18-21(19,20)16-10-14(7-6-12(16)2)11-17-15-8-9-15/h6-7,10,13,15,17-18H,4-5,8-9,11H2,1-3H3
InChIKeyYCOWNDNNCMAENH-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.71
Rot. Bonds8

About 5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide

5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide (PubChem CID 106046633) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide
PubChem CID106046633
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cc(CNC2CC2)ccc1C
InChIInChI=1S/C16H26N2O2S/c1-4-5-13(3)18-21(19,20)16-10-14(7-6-12(16)2)11-17-15-8-9-15/h6-7,10,13,15,17-18H,4-5,8-9,11H2,1-3H3
InChIKeyYCOWNDNNCMAENH-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclopropylamino)methyl]-N',N',2-trimethylbenzenesulfonohydrazide
CID 106074932
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide
CID 106024888
4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 106046169
5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032651
2-bromo-5-[(cyclopropylamino)methyl]-N-pentan-2-ylthiophene-3-sulfonamide
CID 106046551
N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methylphenyl]methyl]cyclopropanamine
CID 114413951
N-[(4-methyl-3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 105408787
4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
CID 106046618
N-(1-ethylsulfanylpropan-2-yl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106083228
4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 106031989
N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106074318
4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102704471

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide (CID 106046633) is 5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1cc(CNC2CC2)ccc1C.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is YCOWNDNNCMAENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-5-13(3)18-21(19,20)16-10-14(7-6-12(16)2)11-17-15-8-9-15/h6-7,10,13,15,17-18H,4-5,8-9,11H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide?
5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-2-methyl-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 106046633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).