N-[(E)-2-aminoprop-1-enyl]methanethioamide

C4H8N2S — CID 90360176

IUPACN-[(E)-2-aminoprop-1-enyl]methanethioamide
SMILESC/C(N)=C\NC=S
InChIInChI=1S/C4H8N2S/c1-4(5)2-6-3-7/h2-3H,5H2,1H3,(H,6,7)/b4-2+
InChIKeyYIXVXHXZTKSYMJ-DUXPYHPUSA-N
MW116.19 g/mol
LogP0.35
Rot. Bonds2

About N-[(E)-2-aminoprop-1-enyl]methanethioamide

N-[(E)-2-aminoprop-1-enyl]methanethioamide (PubChem CID 90360176) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is N-[(E)-2-aminoprop-1-enyl]methanethioamide.

Molecular Properties

Compound NameN-[(E)-2-aminoprop-1-enyl]methanethioamide
PubChem CID90360176
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC NameN-[(E)-2-aminoprop-1-enyl]methanethioamide
SMILESC/C(N)=C\NC=S
InChIInChI=1S/C4H8N2S/c1-4(5)2-6-3-7/h2-3H,5H2,1H3,(H,6,7)/b4-2+
InChIKeyYIXVXHXZTKSYMJ-DUXPYHPUSA-N
XLogP0.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-N-ethenylprop-1-ene-1,2-diamine
CID 142054604
N-[(E)-2-aminoprop-1-enyl]hydroxylamine
CID 143322013
(Z)-3-(methanethioylamino)-N,2-dimethylprop-2-enamide
CID 142896016
(Z)-1-N,1-N-dimethylprop-1-ene-1,2-diamine
CID 88777001
CID 159447204
CID 159447204
acetamide;bis(N-methylmethanamine)
CID 172694142
N-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine
CID 145373416
ethanethioamide;2-sulfanylideneacetamide
CID 87924059
ethanethioamide;λ2-plumbane
CID 174888754
N-[(E)-3-methylhex-2-en-2-yl]methanethioamide
CID 118534047
N-[(E)-2-aminoprop-1-enyl]-N'-(3-hydroxypropyl)ethanimidamide
CID 142097612
methyl 3-amino-2-methanethioylbut-2-enoate
CID 130936219

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-aminoprop-1-enyl]methanethioamide?
The IUPAC name of N-[(E)-2-aminoprop-1-enyl]methanethioamide (CID 90360176) is N-[(E)-2-aminoprop-1-enyl]methanethioamide.
What is the SMILES notation for N-[(E)-2-aminoprop-1-enyl]methanethioamide?
The canonical SMILES for N-[(E)-2-aminoprop-1-enyl]methanethioamide is C/C(N)=C\NC=S.
What is the InChIKey of N-[(E)-2-aminoprop-1-enyl]methanethioamide?
The InChIKey is YIXVXHXZTKSYMJ-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H8N2S/c1-4(5)2-6-3-7/h2-3H,5H2,1H3,(H,6,7)/b4-2+.
What are the key properties of N-[(E)-2-aminoprop-1-enyl]methanethioamide?
N-[(E)-2-aminoprop-1-enyl]methanethioamide has a molecular weight of 116.19 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-aminoprop-1-enyl]methanethioamide is sourced from PubChem (CID 90360176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).