N-propan-2-yldec-2-enethioamide

C13H25NS — CID 54534771

IUPACN-propan-2-yldec-2-enethioamide
SMILESCCCCCCCC=CC(=S)NC(C)C
InChIInChI=1S/C13H25NS/c1-4-5-6-7-8-9-10-11-13(15)14-12(2)3/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyYZABCUFOQKSQAS-UHFFFAOYSA-N
MW227.42 g/mol
LogP4.23
Rot. Bonds8

About N-propan-2-yldec-2-enethioamide

N-propan-2-yldec-2-enethioamide (PubChem CID 54534771) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is N-propan-2-yldec-2-enethioamide.

Molecular Properties

Compound NameN-propan-2-yldec-2-enethioamide
PubChem CID54534771
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC NameN-propan-2-yldec-2-enethioamide
SMILESCCCCCCCC=CC(=S)NC(C)C
InChIInChI=1S/C13H25NS/c1-4-5-6-7-8-9-10-11-13(15)14-12(2)3/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyYZABCUFOQKSQAS-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl dec-2-enedithioate
CID 54446660
(E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide
CID 53324035
(Z)-heptacos-11-ene
CID 56936074
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
(Z)-tricos-11-ene
CID 5356790
(24Z)-hexatriaconta-9,24-diene
CID 173127472
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yldec-2-enethioamide?
The IUPAC name of N-propan-2-yldec-2-enethioamide (CID 54534771) is N-propan-2-yldec-2-enethioamide.
What is the SMILES notation for N-propan-2-yldec-2-enethioamide?
The canonical SMILES for N-propan-2-yldec-2-enethioamide is CCCCCCCC=CC(=S)NC(C)C.
What is the InChIKey of N-propan-2-yldec-2-enethioamide?
The InChIKey is YZABCUFOQKSQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-4-5-6-7-8-9-10-11-13(15)14-12(2)3/h10-12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-propan-2-yldec-2-enethioamide?
N-propan-2-yldec-2-enethioamide has a molecular weight of 227.42 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yldec-2-enethioamide is sourced from PubChem (CID 54534771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).