2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide

C15H20N2OS — CID 63916695

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide
SMILESNC(=O)C(CSc1ccccc1)(NC1CC1)C1CC1
InChIInChI=1S/C15H20N2OS/c16-14(18)15(11-6-7-11,17-12-8-9-12)10-19-13-4-2-1-3-5-13/h1-5,11-12,17H,6-10H2,(H2,16,18)
InChIKeyRWSYOAXDUDUEPK-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.16
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide

2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide (PubChem CID 63916695) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide
PubChem CID63916695
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide
SMILESNC(=O)C(CSc1ccccc1)(NC1CC1)C1CC1
InChIInChI=1S/C15H20N2OS/c16-14(18)15(11-6-7-11,17-12-8-9-12)10-19-13-4-2-1-3-5-13/h1-5,11-12,17H,6-10H2,(H2,16,18)
InChIKeyRWSYOAXDUDUEPK-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)sulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 63921638
2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide
CID 63916309
2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 63916317
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylphenyl)sulfanylpropanoate
CID 63921227
2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid
CID 63917868
3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
CID 63916885
2-cyclopropyl-2-(cyclopropylamino)-3-phenoxypropanoic acid
CID 63919605
2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide
CID 106495681
3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide
CID 62647394
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-pyrimidin-2-ylsulfanylpropanoate
CID 63915943
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide
CID 63921241
2-cyclopropyl-2-(cyclopropylamino)-3-pyrazol-1-ylpropanamide
CID 63920489

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide (CID 63916695) is 2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide is NC(=O)C(CSc1ccccc1)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide?
The InChIKey is RWSYOAXDUDUEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c16-14(18)15(11-6-7-11,17-12-8-9-12)10-19-13-4-2-1-3-5-13/h1-5,11-12,17H,6-10H2,(H2,16,18).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide?
2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide has a molecular weight of 276.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 63916695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).