(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide

C12H24N2O2S — CID 79013230

IUPAC(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide
SMILESCOCCN(C(=O)[C@H](N)C(C)C)C1CCSC1
InChIInChI=1S/C12H24N2O2S/c1-9(2)11(13)12(15)14(5-6-16-3)10-4-7-17-8-10/h9-11H,4-8,13H2,1-3H3/t10?,11-/m1/s1
InChIKeyKILZYEFRXPYCSU-RRKGBCIJSA-N
MW260.40 g/mol
LogP0.95
Rot. Bonds6

About (2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide

(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide (PubChem CID 79013230) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide
PubChem CID79013230
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide
SMILESCOCCN(C(=O)[C@H](N)C(C)C)C1CCSC1
InChIInChI=1S/C12H24N2O2S/c1-9(2)11(13)12(15)14(5-6-16-3)10-4-7-17-8-10/h9-11H,4-8,13H2,1-3H3/t10?,11-/m1/s1
InChIKeyKILZYEFRXPYCSU-RRKGBCIJSA-N
XLogP0.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide
CID 54871455
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
CID 61163740
7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide
CID 54871392
5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid
CID 54875063
3-[2-methoxyethyl(thiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550350
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 64612000
5-[2-methoxyethyl(thiolan-3-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688134
(2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide
CID 129496555
(2S)-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrolidine-2-carboxamide
CID 61163362
(2R)-2-amino-N-cyclopropyl-3-methyl-N-propylbutanamide
CID 79011597
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 61106399
4-amino-N-(2-methoxyethyl)-1-methyl-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106233

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide?
The IUPAC name of (2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide (CID 79013230) is (2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide?
The canonical SMILES for (2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide is COCCN(C(=O)[C@H](N)C(C)C)C1CCSC1.
What is the InChIKey of (2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide?
The InChIKey is KILZYEFRXPYCSU-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-9(2)11(13)12(15)14(5-6-16-3)10-4-7-17-8-10/h9-11H,4-8,13H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide?
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide has a molecular weight of 260.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide is sourced from PubChem (CID 79013230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).