3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide

C14H20N2OS — CID 113384882

IUPAC3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide
SMILESCNC(=O)CCSc1ccc(CNC2CC2)cc1
InChIInChI=1S/C14H20N2OS/c1-15-14(17)8-9-18-13-6-2-11(3-7-13)10-16-12-4-5-12/h2-3,6-7,12,16H,4-5,8-10H2,1H3,(H,15,17)
InChIKeyZKNPAYSXEAPOPS-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.17
Rot. Bonds7

About 3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide

3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide (PubChem CID 113384882) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide
PubChem CID113384882
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide
SMILESCNC(=O)CCSc1ccc(CNC2CC2)cc1
InChIInChI=1S/C14H20N2OS/c1-15-14(17)8-9-18-13-6-2-11(3-7-13)10-16-12-4-5-12/h2-3,6-7,12,16H,4-5,8-10H2,1H3,(H,15,17)
InChIKeyZKNPAYSXEAPOPS-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63805871
3-(4-hydroxyphenyl)sulfanyl-N-methylpropanamide
CID 18983747
N-[[4-(3-ethylsulfanylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 113474406
N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63807786
3-[[4-[(cyclopropylamino)methyl]phenyl]sulfanylmethyl]pentan-3-ol
CID 114497079
methyl 2-[1-[[4-[(cyclopropylamino)methyl]phenyl]sulfanylmethyl]cyclopropyl]acetate
CID 107778347
N-[(4-hept-6-enylsulfanylphenyl)methyl]cyclopropanamine
CID 107010315
methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234
3-[4-[(cyclopropylamino)methyl]phenyl]propanoic acid;hydrochloride
CID 164606797
3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 883208
N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine
CID 63805737
4-(4-aminophenyl)sulfanyl-N-methylbutanamide
CID 63890787

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide?
The IUPAC name of 3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide (CID 113384882) is 3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide.
What is the SMILES notation for 3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide?
The canonical SMILES for 3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide is CNC(=O)CCSc1ccc(CNC2CC2)cc1.
What is the InChIKey of 3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide?
The InChIKey is ZKNPAYSXEAPOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-15-14(17)8-9-18-13-6-2-11(3-7-13)10-16-12-4-5-12/h2-3,6-7,12,16H,4-5,8-10H2,1H3,(H,15,17).
What are the key properties of 3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide?
3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide has a molecular weight of 264.39 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide is sourced from PubChem (CID 113384882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).