N-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide

C14H20N2OS — CID 28660474

IUPACN-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide
SMILESCSCCCNc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C14H20N2OS/c1-18-10-2-9-15-12-5-7-13(8-6-12)16-14(17)11-3-4-11/h5-8,11,15H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyBNOCJFOUNUOFRD-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.20
Rot. Bonds7

About N-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide

N-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide (PubChem CID 28660474) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide
PubChem CID28660474
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide
SMILESCSCCCNc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C14H20N2OS/c1-18-10-2-9-15-12-5-7-13(8-6-12)16-14(17)11-3-4-11/h5-8,11,15H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyBNOCJFOUNUOFRD-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112980891
N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide
CID 43687486
N-[4-(2-phenylethylamino)phenyl]cyclopropanecarboxamide
CID 28660333
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide
CID 103087575
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide
CID 112983563
N-[4-[4-(methylamino)butanoylamino]phenyl]cyclopropanecarboxamide
CID 61251881
N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide
CID 167978229
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
4-(4-methylsulfanylbutylamino)benzamide
CID 103087176
N-(4-methylsulfanylphenyl)cyclopentanecarboxamide
CID 9153516
4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine
CID 43680115

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide (CID 28660474) is N-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide is CSCCCNc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is BNOCJFOUNUOFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-18-10-2-9-15-12-5-7-13(8-6-12)16-14(17)11-3-4-11/h5-8,11,15H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of N-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide?
N-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 264.39 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylsulfanylpropylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 28660474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).