N,N-bis(prop-2-enyl)butanethioamide

C10H17NS — CID 19437515

IUPACN,N-bis(prop-2-enyl)butanethioamide
SMILESC=CCN(CC=C)C(=S)CCC
InChIInChI=1S/C10H17NS/c1-4-7-10(12)11(8-5-2)9-6-3/h5-6H,2-4,7-9H2,1H3
InChIKeyYOKUDYHPGISHKI-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.79
Rot. Bonds6

About N,N-bis(prop-2-enyl)butanethioamide

N,N-bis(prop-2-enyl)butanethioamide (PubChem CID 19437515) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)butanethioamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)butanethioamide
PubChem CID19437515
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN,N-bis(prop-2-enyl)butanethioamide
SMILESC=CCN(CC=C)C(=S)CCC
InChIInChI=1S/C10H17NS/c1-4-7-10(12)11(8-5-2)9-6-3/h5-6H,2-4,7-9H2,1H3
InChIKeyYOKUDYHPGISHKI-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)butanethioamide?
The IUPAC name of N,N-bis(prop-2-enyl)butanethioamide (CID 19437515) is N,N-bis(prop-2-enyl)butanethioamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)butanethioamide?
The canonical SMILES for N,N-bis(prop-2-enyl)butanethioamide is C=CCN(CC=C)C(=S)CCC.
What is the InChIKey of N,N-bis(prop-2-enyl)butanethioamide?
The InChIKey is YOKUDYHPGISHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-7-10(12)11(8-5-2)9-6-3/h5-6H,2-4,7-9H2,1H3.
What are the key properties of N,N-bis(prop-2-enyl)butanethioamide?
N,N-bis(prop-2-enyl)butanethioamide has a molecular weight of 183.32 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)butanethioamide is sourced from PubChem (CID 19437515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).