2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide

C6H14N2OS — CID 177033987

IUPAC2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide
SMILESCNCC(=O)NC(C)CS
InChIInChI=1S/C6H14N2OS/c1-5(4-10)8-6(9)3-7-2/h5,7,10H,3-4H2,1-2H3,(H,8,9)
InChIKeyIEQBFJTXKNGCBG-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.36
Rot. Bonds4

About 2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide

2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide (PubChem CID 177033987) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide
PubChem CID177033987
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide
SMILESCNCC(=O)NC(C)CS
InChIInChI=1S/C6H14N2OS/c1-5(4-10)8-6(9)3-7-2/h5,7,10H,3-4H2,1-2H3,(H,8,9)
InChIKeyIEQBFJTXKNGCBG-UHFFFAOYSA-N
XLogP-0.36
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-Acetylcysteinamide
CID 82333
N-Acetylcysteine amide
CID 10176265
(2R)-2-acetamido-3-sulfanyl-N-(2-sulfanylethyl)propanamide
CID 516570
Acetylcysteinamide, DL-
CID 9942232
2-(methylamino)-N-(propan-2-yl)acetamide
CID 4962296
3-(Sulfanylmethyl)piperazine-2,5-dione
CID 49787209
cysteine N-methyl amide
CID 54285324
N-Carbamoylmethyl-2-isopropylsulfanyl-acetamide
CID 2729293
Ac-Cys-NHMe
CID 11949287
N,N'-bis(2-mercaptoethyl)oxamide
CID 274614
(1)-2-(Acetylamino)-4-mercaptobutyramide
CID 337022
(2R)-2-(methylamino)-3-sulfanylpropanamide
CID 657116

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide?
The IUPAC name of 2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide (CID 177033987) is 2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide?
The canonical SMILES for 2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide is CNCC(=O)NC(C)CS.
What is the InChIKey of 2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide?
The InChIKey is IEQBFJTXKNGCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-5(4-10)8-6(9)3-7-2/h5,7,10H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide?
2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide has a molecular weight of 162.26 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide is sourced from PubChem (CID 177033987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).