(E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide

C10H17NOS — CID 131242989

IUPAC(E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide
SMILESCC(C)/C=C/C(=O)NC1CCSC1
InChIInChI=1S/C10H17NOS/c1-8(2)3-4-10(12)11-9-5-6-13-7-9/h3-4,8-9H,5-7H2,1-2H3,(H,11,12)/b4-3+
InChIKeyAOMVYNRVQUBNNO-ONEGZZNKSA-N
MW199.32 g/mol
LogP1.82
Rot. Bonds3

About (E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide

(E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide (PubChem CID 131242989) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide.

Molecular Properties

Compound Name(E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide
PubChem CID131242989
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide
SMILESCC(C)/C=C/C(=O)NC1CCSC1
InChIInChI=1S/C10H17NOS/c1-8(2)3-4-10(12)11-9-5-6-13-7-9/h3-4,8-9H,5-7H2,1-2H3,(H,11,12)/b4-3+
InChIKeyAOMVYNRVQUBNNO-ONEGZZNKSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(thiolan-3-yl)hexa-2,4-dienamide
CID 131236586
2-cyclopropyl-N-(thiolan-3-yl)propanamide
CID 127000268
2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide
CID 130694647
propan-2-yl N-(thiolan-3-yl)carbamate
CID 103062730
3-amino-N-(thiolan-3-yl)butanamide
CID 103811759
(2R)-2-amino-3,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 103063073
2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 130165186
2-bromo-2-methyl-N-(thiolan-3-yl)propanamide
CID 103062720
4-hydroxy-N-(thiolan-3-yl)pentanamide
CID 103064924
tert-butyl N-[(3S)-thiolan-3-yl]carbamate
CID 15148694
2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide
CID 103063076
1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea
CID 117234419

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide?
The IUPAC name of (E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide (CID 131242989) is (E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide.
What is the SMILES notation for (E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide?
The canonical SMILES for (E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide is CC(C)/C=C/C(=O)NC1CCSC1.
What is the InChIKey of (E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide?
The InChIKey is AOMVYNRVQUBNNO-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8(2)3-4-10(12)11-9-5-6-13-7-9/h3-4,8-9H,5-7H2,1-2H3,(H,11,12)/b4-3+.
What are the key properties of (E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide?
(E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide has a molecular weight of 199.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide is sourced from PubChem (CID 131242989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).