(2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide

C15H22N2OS — CID 8594722

IUPAC(2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
SMILESCSc1ccc(CN(C)[C@H](C)C(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N2OS/c1-11(15(18)16-13-6-7-13)17(2)10-12-4-8-14(19-3)9-5-12/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyPCQRVMPJNXSTPH-LLVKDONJSA-N
MW278.42 g/mol
LogP2.51
Rot. Bonds6

About (2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide

(2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide (PubChem CID 8594722) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
PubChem CID8594722
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
SMILESCSc1ccc(CN(C)[C@H](C)C(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N2OS/c1-11(15(18)16-13-6-7-13)17(2)10-12-4-8-14(19-3)9-5-12/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyPCQRVMPJNXSTPH-LLVKDONJSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 8594903
2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide
CID 17485820
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
N-(2-fluorophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 46801756
(2S)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 2439515
3-cyclopropyl-1-methyl-1-[(4-methylsulfanylphenyl)methyl]thiourea
CID 8787224
(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9251729
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 27099197
N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 24594082
(2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 51924065
2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide
CID 18094197

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide (CID 8594722) is (2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide is CSc1ccc(CN(C)[C@H](C)C(=O)NC2CC2)cc1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide?
The InChIKey is PCQRVMPJNXSTPH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(15(18)16-13-6-7-13)17(2)10-12-4-8-14(19-3)9-5-12/h4-5,8-9,11,13H,6-7,10H2,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide?
(2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide has a molecular weight of 278.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 8594722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).