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

C7H17N3OS — CID 156682081

IUPAC2-(2-aminoethylamino)-N-(1-sulfanylpropan-2-yl)acetamide
SMILESCC(CS)NC(=O)CNCCN
InChIInChI=1S/C7H17N3OS/c1-6(5-12)10-7(11)4-9-3-2-8/h6,9,12H,2-5,8H2,1H3,(H,10,11)
InChIKeyMWYYLDGYRJFAFU-UHFFFAOYSA-N
MW191.30 g/mol
LogP-1.03
Rot. Bonds6

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

2-(2-aminoethylamino)-N-(1-sulfanylpropan-2-yl)acetamide (PubChem CID 156682081) has the molecular formula C7H17N3OS and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-N-(1-sulfanylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-N-(1-sulfanylpropan-2-yl)acetamide
PubChem CID156682081
Molecular FormulaC7H17N3OS
Molecular Weight191.30 g/mol
Exact Mass191.11
IUPAC Name2-(2-aminoethylamino)-N-(1-sulfanylpropan-2-yl)acetamide
SMILESCC(CS)NC(=O)CNCCN
InChIInChI=1S/C7H17N3OS/c1-6(5-12)10-7(11)4-9-3-2-8/h6,9,12H,2-5,8H2,1H3,(H,10,11)
InChIKeyMWYYLDGYRJFAFU-UHFFFAOYSA-N
XLogP-1.03
TPSA67.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
Oxamide, (3-((2-mercaptoethyl)amino)propyl)-, monohydrochloride
CID 32468
2-[(carbamothioylmethyl)(methyl)amino]-N-(propan-2-yl)acetamide
CID 7131202
cysteine N-methyl amide
CID 54285324
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
Propanamide, N-(2-amino-2-oxoethyl)-2-mercapto-
CID 165504

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-N-(1-sulfanylpropan-2-yl)acetamide?
The IUPAC name of 2-(2-aminoethylamino)-N-(1-sulfanylpropan-2-yl)acetamide (CID 156682081) is 2-(2-aminoethylamino)-N-(1-sulfanylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-aminoethylamino)-N-(1-sulfanylpropan-2-yl)acetamide?
The canonical SMILES for 2-(2-aminoethylamino)-N-(1-sulfanylpropan-2-yl)acetamide is CC(CS)NC(=O)CNCCN.
What is the InChIKey of 2-(2-aminoethylamino)-N-(1-sulfanylpropan-2-yl)acetamide?
The InChIKey is MWYYLDGYRJFAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3OS/c1-6(5-12)10-7(11)4-9-3-2-8/h6,9,12H,2-5,8H2,1H3,(H,10,11).
What are the key properties of 2-(2-aminoethylamino)-N-(1-sulfanylpropan-2-yl)acetamide?
2-(2-aminoethylamino)-N-(1-sulfanylpropan-2-yl)acetamide has a molecular weight of 191.30 g/mol, XLogP of -1.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-N-(1-sulfanylpropan-2-yl)acetamide is sourced from PubChem (CID 156682081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).