1-(thiolan-3-yl)but-3-en-1-amine

C8H15NS — CID 105108473

IUPAC1-(thiolan-3-yl)but-3-en-1-amine
SMILESC=CCC(N)C1CCSC1
InChIInChI=1S/C8H15NS/c1-2-3-8(9)7-4-5-10-6-7/h2,7-8H,1,3-6,9H2
InChIKeyMTWZFKUNTFMWKH-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.64
Rot. Bonds3

About 1-(thiolan-3-yl)but-3-en-1-amine

1-(thiolan-3-yl)but-3-en-1-amine (PubChem CID 105108473) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-(thiolan-3-yl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(thiolan-3-yl)but-3-en-1-amine
PubChem CID105108473
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-(thiolan-3-yl)but-3-en-1-amine
SMILESC=CCC(N)C1CCSC1
InChIInChI=1S/C8H15NS/c1-2-3-8(9)7-4-5-10-6-7/h2,7-8H,1,3-6,9H2
InChIKeyMTWZFKUNTFMWKH-UHFFFAOYSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-Dihydrothiophen-2-yl)pent-4-en-1-amine
CID 23567364
Cyclopropyl(2,3-dihydrothiophen-3-yl)methanamine
CID 68229889
Cyclopropyl(2,3-dihydrothiophen-2-yl)methanamine
CID 89246169
5-ethyl-4-[(Z)-2-methylsulfanylethenyl]-1-oxothiolan-3-amine
CID 163874396
1-(Thiolan-2-yl)but-3-en-1-amine
CID 80622584
1-(2-Methylthiolan-2-yl)but-3-en-1-amine
CID 105108146
1-(Thian-4-yl)pent-4-en-2-amine
CID 105108153
N-ethyl-1-(thiolan-3-yl)but-3-en-1-amine
CID 105108210
N-propyl-1-(thiolan-3-yl)but-3-en-1-amine
CID 105108240
N-methyl-1-(thiolan-3-yl)but-3-en-1-amine
CID 105108294
1-(2-Methylthiolan-2-yl)hex-5-en-1-amine
CID 105153093
1-(Thiolan-3-yl)hex-5-en-1-amine
CID 105153201

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-yl)but-3-en-1-amine?
The IUPAC name of 1-(thiolan-3-yl)but-3-en-1-amine (CID 105108473) is 1-(thiolan-3-yl)but-3-en-1-amine.
What is the SMILES notation for 1-(thiolan-3-yl)but-3-en-1-amine?
The canonical SMILES for 1-(thiolan-3-yl)but-3-en-1-amine is C=CCC(N)C1CCSC1.
What is the InChIKey of 1-(thiolan-3-yl)but-3-en-1-amine?
The InChIKey is MTWZFKUNTFMWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-3-8(9)7-4-5-10-6-7/h2,7-8H,1,3-6,9H2.
What are the key properties of 1-(thiolan-3-yl)but-3-en-1-amine?
1-(thiolan-3-yl)but-3-en-1-amine has a molecular weight of 157.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-yl)but-3-en-1-amine is sourced from PubChem (CID 105108473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).