1-(thian-4-yl)pent-4-en-2-amine

C10H19NS — CID 105108153

IUPAC1-(thian-4-yl)pent-4-en-2-amine
SMILESC=CCC(N)CC1CCSCC1
InChIInChI=1S/C10H19NS/c1-2-3-10(11)8-9-4-6-12-7-5-9/h2,9-10H,1,3-8,11H2
InChIKeyLXKMQHLOZRPYEI-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.42
Rot. Bonds4

About 1-(thian-4-yl)pent-4-en-2-amine

1-(thian-4-yl)pent-4-en-2-amine (PubChem CID 105108153) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-(thian-4-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name1-(thian-4-yl)pent-4-en-2-amine
PubChem CID105108153
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-(thian-4-yl)pent-4-en-2-amine
SMILESC=CCC(N)CC1CCSCC1
InChIInChI=1S/C10H19NS/c1-2-3-10(11)8-9-4-6-12-7-5-9/h2,9-10H,1,3-8,11H2
InChIKeyLXKMQHLOZRPYEI-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.42
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

2,6-Dipentyl-2,3-bis(prop-2-enyl)thian-4-amine
CID 70522982
(3S)-5-methyl-4-methylidene-1-methylsulfanylheptan-3-amine
CID 88562379
1-(2,3-Dihydrothiophen-3-yl)pentan-3-amine
CID 89073731
(1S,5R)-2-but-1-en-2-ylsulfanyl-5-methylcyclohex-3-en-1-amine
CID 137432486
(2R)-2-ethenyl-6-[(Z)-prop-1-enyl]sulfanylcyclohexan-1-amine
CID 138717597
Ethane;2-methyl-1-(3-methylthian-2-yl)prop-2-en-1-amine
CID 143782987
1-(2-Methylpropylsulfanyl)hept-6-en-2-amine
CID 65134998
1-(1,4-Dithian-2-yl)hex-5-en-1-amine
CID 79972664
1-(Thian-2-yl)hex-5-en-1-amine
CID 80626354
1-(Thian-2-yl)prop-2-en-1-amine
CID 80627433
1-(Thian-2-yl)but-3-en-1-amine
CID 80627434
1-(Thian-2-yl)pent-4-en-1-amine
CID 80627663

Frequently Asked Questions

What is the IUPAC name of 1-(thian-4-yl)pent-4-en-2-amine?
The IUPAC name of 1-(thian-4-yl)pent-4-en-2-amine (CID 105108153) is 1-(thian-4-yl)pent-4-en-2-amine.
What is the SMILES notation for 1-(thian-4-yl)pent-4-en-2-amine?
The canonical SMILES for 1-(thian-4-yl)pent-4-en-2-amine is C=CCC(N)CC1CCSCC1.
What is the InChIKey of 1-(thian-4-yl)pent-4-en-2-amine?
The InChIKey is LXKMQHLOZRPYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-2-3-10(11)8-9-4-6-12-7-5-9/h2,9-10H,1,3-8,11H2.
What are the key properties of 1-(thian-4-yl)pent-4-en-2-amine?
1-(thian-4-yl)pent-4-en-2-amine has a molecular weight of 185.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-4-yl)pent-4-en-2-amine is sourced from PubChem (CID 105108153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).