(E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine

C10H19NS — CID 107132415

IUPAC(E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine
SMILESC/C=C/CCNCC1CCSC1
InChIInChI=1S/C10H19NS/c1-2-3-4-6-11-8-10-5-7-12-9-10/h2-3,10-11H,4-9H2,1H3/b3-2+
InChIKeyUROSTMXYAWQPQQ-NSCUHMNNSA-N
MW185.34 g/mol
LogP2.30
Rot. Bonds5

About (E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine

(E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine (PubChem CID 107132415) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine
PubChem CID107132415
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine
SMILESC/C=C/CCNCC1CCSC1
InChIInChI=1S/C10H19NS/c1-2-3-4-6-11-8-10-5-7-12-9-10/h2-3,10-11H,4-9H2,1H3/b3-2+
InChIKeyUROSTMXYAWQPQQ-NSCUHMNNSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiazolidine, 2-(3-pentenyl)-, (E)-
CID 6447464
Thiazolidine, 2-(3-heptenyl)-2-methyl-, (E)-
CID 6447468
Thiazolidine, 2-(3,6-heptadienyl)-2-methyl-, (E)-
CID 6447469
Thiazolidine, 2-methyl-2-(3-pentenyl)-, (E)-
CID 6447466
2-((Z)-2-heptenyl)thiazolidine
CID 5352327
2-((Z)-2-hexenyl)thiazolidine
CID 5352328
2-((Z)-2-pentenyl)thiazolidine
CID 5352330
2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
CID 57186297
2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole
CID 58270244
2,3,3a,4,5,6-Hexahydrothieno[3,2-c]pyridine
CID 67415469
2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole
CID 67967752
3-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]-N-propylpropan-1-amine
CID 68344038

Frequently Asked Questions

What is the IUPAC name of (E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine (CID 107132415) is (E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine is C/C=C/CCNCC1CCSC1.
What is the InChIKey of (E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine?
The InChIKey is UROSTMXYAWQPQQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H19NS/c1-2-3-4-6-11-8-10-5-7-12-9-10/h2-3,10-11H,4-9H2,1H3/b3-2+.
What are the key properties of (E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine?
(E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(thiolan-3-ylmethyl)pent-3-en-1-amine is sourced from PubChem (CID 107132415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).