1-(thian-4-yl)hex-5-en-2-amine

C11H21NS — CID 105153406

IUPAC1-(thian-4-yl)hex-5-en-2-amine
SMILESC=CCCC(N)CC1CCSCC1
InChIInChI=1S/C11H21NS/c1-2-3-4-11(12)9-10-5-7-13-8-6-10/h2,10-11H,1,3-9,12H2
InChIKeyGHWJCZABTBQOBX-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.81
Rot. Bonds5

About 1-(thian-4-yl)hex-5-en-2-amine

1-(thian-4-yl)hex-5-en-2-amine (PubChem CID 105153406) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 1-(thian-4-yl)hex-5-en-2-amine.

Molecular Properties

Compound Name1-(thian-4-yl)hex-5-en-2-amine
PubChem CID105153406
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name1-(thian-4-yl)hex-5-en-2-amine
SMILESC=CCCC(N)CC1CCSCC1
InChIInChI=1S/C11H21NS/c1-2-3-4-11(12)9-10-5-7-13-8-6-10/h2,10-11H,1,3-9,12H2
InChIKeyGHWJCZABTBQOBX-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.81
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
2,6-Dimethyl-3-(5-methylthiolan-2-yl)cyclohex-3-en-1-amine
CID 71166149
1-(2,3-Dihydrothiophen-3-yl)pentan-3-amine
CID 89073731
(3S)-6-methyl-4-methylidene-1-methylsulfanyloctan-3-amine
CID 89353302
2-But-1-en-2-ylsulfanyl-3-methylnonan-1-amine
CID 90760335
(1R,2S)-2-ethenyl-1-propan-2-ylsulfanyloctan-1-amine
CID 121264960
Ethane;2-methyl-1-(3-methylthian-2-yl)prop-2-en-1-amine
CID 143782987
4-[5-(6-Aminohexylsulfanyl)-3-methylidenehept-6-enyl]cyclohexan-1-amine;ethane;ethene
CID 145379195
CID 156422232
CID 156422232
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)but-3-en-1-amine
CID 80627434

Frequently Asked Questions

What is the IUPAC name of 1-(thian-4-yl)hex-5-en-2-amine?
The IUPAC name of 1-(thian-4-yl)hex-5-en-2-amine (CID 105153406) is 1-(thian-4-yl)hex-5-en-2-amine.
What is the SMILES notation for 1-(thian-4-yl)hex-5-en-2-amine?
The canonical SMILES for 1-(thian-4-yl)hex-5-en-2-amine is C=CCCC(N)CC1CCSCC1.
What is the InChIKey of 1-(thian-4-yl)hex-5-en-2-amine?
The InChIKey is GHWJCZABTBQOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-2-3-4-11(12)9-10-5-7-13-8-6-10/h2,10-11H,1,3-9,12H2.
What are the key properties of 1-(thian-4-yl)hex-5-en-2-amine?
1-(thian-4-yl)hex-5-en-2-amine has a molecular weight of 199.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-4-yl)hex-5-en-2-amine is sourced from PubChem (CID 105153406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).