(2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide

C11H22N2OS — CID 103810218

IUPAC(2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NC1CCSCC1
InChIInChI=1S/C11H22N2OS/c1-11(2,3)9(12)10(14)13-8-4-6-15-7-5-8/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyBBGBEDBOVKEIMN-SECBINFHSA-N
MW230.38 g/mol
LogP1.37
Rot. Bonds2

About (2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide (PubChem CID 103810218) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide
PubChem CID103810218
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NC1CCSCC1
InChIInChI=1S/C11H22N2OS/c1-11(2,3)9(12)10(14)13-8-4-6-15-7-5-8/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyBBGBEDBOVKEIMN-SECBINFHSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 103063073
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
(2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide
CID 119812015
(2R)-2-amino-N-(thian-4-yl)propanamide
CID 103796198
2-amino-3-methyl-N-(thian-4-yl)butanamide;hydrochloride
CID 119313239
(2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride
CID 119779394
(2R)-2-amino-3,3-dimethyl-N-(1-oxothian-4-yl)butanamide
CID 104864652
N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide
CID 68920493
(2R)-2-amino-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylbutanamide
CID 112753369
(2S)-2-amino-3,3-dimethyl-N-(thian-4-ylmethyl)butanamide;hydrochloride
CID 119756562
2-amino-N-(thian-4-yl)butanamide
CID 115734007
3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride
CID 120500047

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide (CID 103810218) is (2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide is CC(C)(C)[C@H](N)C(=O)NC1CCSCC1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide?
The InChIKey is BBGBEDBOVKEIMN-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-11(2,3)9(12)10(14)13-8-4-6-15-7-5-8/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide has a molecular weight of 230.38 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide is sourced from PubChem (CID 103810218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).