(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide

C11H22N2OS — CID 103833033

IUPAC(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC1CCSCC1
InChIInChI=1S/C11H22N2OS/c1-3-8(2)10(12)11(14)13-9-4-6-15-7-5-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8-,10-/m0/s1
InChIKeyJMKDMRYBGLWOJA-WPRPVWTQSA-N
MW230.38 g/mol
LogP1.37
Rot. Bonds4

About (2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide

(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide (PubChem CID 103833033) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide
PubChem CID103833033
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC1CCSCC1
InChIInChI=1S/C11H22N2OS/c1-3-8(2)10(12)11(14)13-9-4-6-15-7-5-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8-,10-/m0/s1
InChIKeyJMKDMRYBGLWOJA-WPRPVWTQSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
2-amino-N-(thian-4-yl)butanamide
CID 115734007
2-amino-3-methyl-N-(thian-4-yl)butanamide;hydrochloride
CID 119313239
(2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide
CID 67292005
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
(2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride
CID 119313238
(2R)-2-amino-N-(thian-4-yl)propanamide
CID 103796198
2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide
CID 54917233
2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 113407095
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 61180289
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide
CID 54863095
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide
CID 61274117

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide (CID 103833033) is (2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide is CC[C@H](C)[C@H](N)C(=O)NC1CCSCC1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide?
The InChIKey is JMKDMRYBGLWOJA-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-8(2)10(12)11(14)13-9-4-6-15-7-5-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide has a molecular weight of 230.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide is sourced from PubChem (CID 103833033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).