(2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide

C13H22N2OS — CID 95164566

IUPAC(2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)CN(C)[C@@H](C)C(=O)NCc1cccs1
InChIInChI=1S/C13H22N2OS/c1-10(2)9-15(4)11(3)13(16)14-8-12-6-5-7-17-12/h5-7,10-11H,8-9H2,1-4H3,(H,14,16)/t11-/m0/s1
InChIKeyFCHBZGWHDZPYPP-NSHDSACASA-N
MW254.40 g/mol
LogP2.34
Rot. Bonds6

About (2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide

(2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 95164566) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is (2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID95164566
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name(2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)CN(C)[C@@H](C)C(=O)NCc1cccs1
InChIInChI=1S/C13H22N2OS/c1-10(2)9-15(4)11(3)13(16)14-8-12-6-5-7-17-12/h5-7,10-11H,8-9H2,1-4H3,(H,14,16)/t11-/m0/s1
InChIKeyFCHBZGWHDZPYPP-NSHDSACASA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide (CID 95164566) is (2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide is CC(C)CN(C)[C@@H](C)C(=O)NCc1cccs1.
What is the InChIKey of (2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is FCHBZGWHDZPYPP-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(2)9-15(4)11(3)13(16)14-8-12-6-5-7-17-12/h5-7,10-11H,8-9H2,1-4H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide?
(2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 254.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 95164566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).