1-(thiolan-3-yl)pent-4-en-1-amine

C9H17NS — CID 105153513

IUPAC1-(thiolan-3-yl)pent-4-en-1-amine
SMILESC=CCCC(N)C1CCSC1
InChIInChI=1S/C9H17NS/c1-2-3-4-9(10)8-5-6-11-7-8/h2,8-9H,1,3-7,10H2
InChIKeyNGFSLYLFDIDBTN-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.03
Rot. Bonds4

About 1-(thiolan-3-yl)pent-4-en-1-amine

1-(thiolan-3-yl)pent-4-en-1-amine (PubChem CID 105153513) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 1-(thiolan-3-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(thiolan-3-yl)pent-4-en-1-amine
PubChem CID105153513
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name1-(thiolan-3-yl)pent-4-en-1-amine
SMILESC=CCCC(N)C1CCSC1
InChIInChI=1S/C9H17NS/c1-2-3-4-9(10)8-5-6-11-7-8/h2,8-9H,1,3-7,10H2
InChIKeyNGFSLYLFDIDBTN-UHFFFAOYSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.03
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
1-(2,3-Dihydrothiophen-3-yl)pentan-3-amine
CID 89073731
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)pent-4-en-1-amine
CID 80622124
1-(Thiolan-2-yl)but-3-en-1-amine
CID 80622584
1-(Thiolan-2-yl)hex-5-en-1-amine
CID 80623060
N-ethyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine
CID 105107992
1-(1,1-Dioxothiolan-3-yl)pent-4-en-2-amine
CID 105108040
1-(2-Methylthiolan-2-yl)but-3-en-1-amine
CID 105108146
1-(Thian-4-yl)pent-4-en-2-amine
CID 105108153

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-3-yl)pent-4-en-1-amine?
The IUPAC name of 1-(thiolan-3-yl)pent-4-en-1-amine (CID 105153513) is 1-(thiolan-3-yl)pent-4-en-1-amine.
What is the SMILES notation for 1-(thiolan-3-yl)pent-4-en-1-amine?
The canonical SMILES for 1-(thiolan-3-yl)pent-4-en-1-amine is C=CCCC(N)C1CCSC1.
What is the InChIKey of 1-(thiolan-3-yl)pent-4-en-1-amine?
The InChIKey is NGFSLYLFDIDBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-3-4-9(10)8-5-6-11-7-8/h2,8-9H,1,3-7,10H2.
What are the key properties of 1-(thiolan-3-yl)pent-4-en-1-amine?
1-(thiolan-3-yl)pent-4-en-1-amine has a molecular weight of 171.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-3-yl)pent-4-en-1-amine is sourced from PubChem (CID 105153513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).