(2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide

C13H26N2OS — CID 95125590

IUPAC(2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide
SMILESCC(C)SCCN[C@@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C13H26N2OS/c1-10(2)17-9-8-14-11(3)13(16)15-12-6-4-5-7-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyTYOUZGPNKVGKLC-NSHDSACASA-N
MW258.43 g/mol
LogP2.16
Rot. Bonds7

About (2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide

(2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide (PubChem CID 95125590) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide
PubChem CID95125590
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name(2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide
SMILESCC(C)SCCN[C@@H](C)C(=O)NC1CCCC1
InChIInChI=1S/C13H26N2OS/c1-10(2)17-9-8-14-11(3)13(16)15-12-6-4-5-7-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyTYOUZGPNKVGKLC-NSHDSACASA-N
XLogP2.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.16
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

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CID 43083458
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2-(3-butoxypropylamino)-N-cyclohexylpropanamide
CID 115569811
N-cyclopentyl-2-(cyclopropylmethylamino)propanamide
CID 43116561
N-cyclopentyl-2-(2-hydroxypropylamino)propanamide
CID 43389370
N-cyclohexyl-2-(2-ethoxyethylamino)propanamide
CID 43591067
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
N-cyclohexyl-2-[(5-hydroxy-4-methylpentyl)amino]propanamide
CID 106160233
(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 94827893
N-cyclohexyl-2-(pent-4-ynylamino)propanamide
CID 103711279
N-cyclopentyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanamide
CID 115571861

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide (CID 95125590) is (2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide is CC(C)SCCN[C@@H](C)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide?
The InChIKey is TYOUZGPNKVGKLC-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2OS/c1-10(2)17-9-8-14-11(3)13(16)15-12-6-4-5-7-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide?
(2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide has a molecular weight of 258.43 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 (2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide is sourced from PubChem (CID 95125590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).