(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide

C10H20N2OS — CID 103063073

IUPAC(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NC1CCSC1
InChIInChI=1S/C10H20N2OS/c1-10(2,3)8(11)9(13)12-7-4-5-14-6-7/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyMHTJQZUNTKELFS-MQWKRIRWSA-N
MW216.35 g/mol
LogP0.98
Rot. Bonds2

About (2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide

(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide (PubChem CID 103063073) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide
PubChem CID103063073
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NC1CCSC1
InChIInChI=1S/C10H20N2OS/c1-10(2,3)8(11)9(13)12-7-4-5-14-6-7/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyMHTJQZUNTKELFS-MQWKRIRWSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide
CID 103810218
(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
2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide
CID 107472858
2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide
CID 130694647
2-cyclopropyl-N-(thiolan-3-yl)propanamide
CID 127000268
3-amino-N-(thiolan-3-yl)butanamide
CID 103811759
2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 130165186
(2S)-2-amino-3,3-dimethyl-N-(4-methylcyclohexyl)butanamide;hydrochloride
CID 119779394
2-bromo-2-methyl-N-(thiolan-3-yl)propanamide
CID 103062720
3-amino-4-oxo-4-(thiolan-3-ylamino)butanoic acid
CID 103063031
2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 103063066

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide (CID 103063073) is (2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide is CC(C)(C)[C@@H](N)C(=O)NC1CCSC1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide?
The InChIKey is MHTJQZUNTKELFS-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-10(2,3)8(11)9(13)12-7-4-5-14-6-7/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7?,8-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide?
(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide has a molecular weight of 216.35 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide is sourced from PubChem (CID 103063073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).