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

C12H24N2OS — CID 67292005

IUPAC(2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1CCSCC1
InChIInChI=1S/C12H24N2OS/c1-3-9(2)11(13)12(15)14-8-10-4-6-16-7-5-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9?,11-/m0/s1
InChIKeyDYSGCCGKFVHPIB-UMJHXOGRSA-N
MW244.40 g/mol
LogP1.62
Rot. Bonds5

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

(2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide (PubChem CID 67292005) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide
PubChem CID67292005
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name(2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1CCSCC1
InChIInChI=1S/C12H24N2OS/c1-3-9(2)11(13)12(15)14-8-10-4-6-16-7-5-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9?,11-/m0/s1
InChIKeyDYSGCCGKFVHPIB-UMJHXOGRSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide
CID 103833033
2-methyl-N-(thian-4-ylmethyl)propanamide
CID 115625101
(2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide
CID 61173579
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide
CID 103833140
2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3-methylpentanamide
CID 54915645
(2S)-2-amino-3,3-dimethyl-N-(thian-4-ylmethyl)butanamide;hydrochloride
CID 119756562
2-amino-N-(2-cyclopropylpropyl)-3-methylpentanamide
CID 115738557
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide
CID 115738399
2-amino-3-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pentanamide
CID 119806640
3-amino-3-hydroxyimino-2-methyl-N-(thian-4-ylmethyl)propanamide
CID 104866186
(2S,3S)-2-[[4-[[[(2S,3R)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 40742726
2-amino-3-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pentanamide;hydrochloride
CID 119806639

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide (CID 67292005) is (2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide is CCC(C)[C@H](N)C(=O)NCC1CCSCC1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide?
The InChIKey is DYSGCCGKFVHPIB-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-9(2)11(13)12(15)14-8-10-4-6-16-7-5-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9?,11-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide?
(2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide has a molecular weight of 244.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide is sourced from PubChem (CID 67292005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).