(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide

C11H22N2OS2 — CID 103833140

IUPAC(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1CSCCS1
InChIInChI=1S/C11H22N2OS2/c1-3-8(2)10(12)11(14)13-6-9-7-15-4-5-16-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8?,9?,10-/m0/s1
InChIKeyWFPMGRAQQCKSAG-RTBKNWGFSA-N
MW262.44 g/mol
LogP1.32
Rot. Bonds5

About (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide

(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide (PubChem CID 103833140) has the molecular formula C11H22N2OS2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide
PubChem CID103833140
Molecular FormulaC11H22N2OS2
Molecular Weight262.44 g/mol
Exact Mass262.12
IUPAC Name(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1CSCCS1
InChIInChI=1S/C11H22N2OS2/c1-3-8(2)10(12)11(14)13-6-9-7-15-4-5-16-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8?,9?,10-/m0/s1
InChIKeyWFPMGRAQQCKSAG-RTBKNWGFSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide
CID 104866324
(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride
CID 119326363
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride
CID 119788294
(2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide
CID 130686027
(2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide
CID 67292005
2-(1,4-dithian-2-ylmethylcarbamoyl)-3,3-dimethylbutanoic acid
CID 116537513
2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide
CID 120793542
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide
CID 115738399
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide
CID 103797022
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119326352
(2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79363377
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide (CID 103833140) is (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NCC1CSCCS1.
What is the InChIKey of (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide?
The InChIKey is WFPMGRAQQCKSAG-RTBKNWGFSA-N. The full InChI is InChI=1S/C11H22N2OS2/c1-3-8(2)10(12)11(14)13-6-9-7-15-4-5-16-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide?
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide has a molecular weight of 262.44 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide is sourced from PubChem (CID 103833140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).