N-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide

C7H14N2OS — CID 163983529

IUPACN-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide
SMILESCC(C)NC(=O)CN/C=C\S
InChIInChI=1S/C7H14N2OS/c1-6(2)9-7(10)5-8-3-4-11/h3-4,6,8,11H,5H2,1-2H3,(H,9,10)/b4-3-
InChIKeyTUIGDRKQOXNXEK-ARJAWSKDSA-N
MW174.27 g/mol
LogP0.50
Rot. Bonds4

About N-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide

N-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide (PubChem CID 163983529) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is N-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide
PubChem CID163983529
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC NameN-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide
SMILESCC(C)NC(=O)CN/C=C\S
InChIInChI=1S/C7H14N2OS/c1-6(2)9-7(10)5-8-3-4-11/h3-4,6,8,11H,5H2,1-2H3,(H,9,10)/b4-3-
InChIKeyTUIGDRKQOXNXEK-ARJAWSKDSA-N
XLogP0.50
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.50
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

2-amino-N-[(2R)-1-sulfanylpropan-2-yl]acetamide
CID 18609635
N-propan-2-yl-2-(2-sulfanylethylamino)acetamide
CID 23177224
2-(propan-2-ylamino)-N-(2-sulfanylethyl)acetamide
CID 23187669
2-(3-Sulfanylprop-1-enylamino)propanamide
CID 60070940
(Z)-N-ethyl-2-(methylamino)-3-sulfanylprop-2-enamide
CID 138474209
4-(Propan-2-yl)-2-[(propan-2-yl)amino]-2H-1,4-thiazin-3(4H)-one
CID 13117708
N-propan-2-yl-2-[(2-sulfanylacetyl)amino]acetamide
CID 65626598
2-(2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide
CID 115659279
N-butan-2-yl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115659300
2-amino-N-[2-oxo-2-(1-sulfanylpropan-2-ylamino)ethyl]acetamide
CID 140862347
2-(2-aminoethylamino)-N-(1-sulfanylpropan-2-yl)acetamide
CID 156682081
2-(methylamino)-N-(1-sulfanylpropan-2-yl)acetamide
CID 177033987

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide?
The IUPAC name of N-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide (CID 163983529) is N-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide is CC(C)NC(=O)CN/C=C\S.
What is the InChIKey of N-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide?
The InChIKey is TUIGDRKQOXNXEK-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-6(2)9-7(10)5-8-3-4-11/h3-4,6,8,11H,5H2,1-2H3,(H,9,10)/b4-3-.
What are the key properties of N-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide?
N-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide has a molecular weight of 174.27 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[(Z)-2-sulfanylethenyl]amino]acetamide is sourced from PubChem (CID 163983529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).