(2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide

C11H22N2O3S — CID 103930251

IUPAC(2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)9(12)10(14)13-7-8-5-4-6-17(8,15)16/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyDKPQMLALTCXTJS-GKAPJAKFSA-N
MW262.37 g/mol
LogP0.05
Rot. Bonds3

About (2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide (PubChem CID 103930251) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide
PubChem CID103930251
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name(2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)9(12)10(14)13-7-8-5-4-6-17(8,15)16/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyDKPQMLALTCXTJS-GKAPJAKFSA-N
XLogP0.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]butanamide
CID 81039235
(2S)-2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 61158739
(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride
CID 119741871
ethyl N-[(1,1-dioxothiolan-2-yl)methyl]carbamate
CID 81046471
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81038798
3-[(1,1-dioxothiolan-2-yl)methylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 113308333
(2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 104905375
N-[(1,1-dioxothiolan-2-yl)methyl]-2-sulfanylacetamide
CID 81046326
N-[(1,1-dioxothiolan-2-yl)methyl]prop-2-enamide
CID 81039292
4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]cyclohexane-1-carboxamide
CID 81038544
(2S)-2-amino-3,3-dimethyl-N-(thian-4-ylmethyl)butanamide;hydrochloride
CID 119756562
2-amino-N-(1,1-dioxothian-3-yl)-3,3-dimethylbutanamide
CID 77013077

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide (CID 103930251) is (2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)NCC1CCCS1(=O)=O.
What is the InChIKey of (2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide?
The InChIKey is DKPQMLALTCXTJS-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2,3)9(12)10(14)13-7-8-5-4-6-17(8,15)16/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8?,9-/m0/s1.
What are the key properties of (2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide has a molecular weight of 262.37 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103930251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).