1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine

C10H19NS — CID 83906962

IUPAC1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCC2CCSCC2)CC1
InChIInChI=1S/C10H19NS/c11-10(5-6-10)4-1-9-2-7-12-8-3-9/h9H,1-8,11H2
InChIKeyGLNQFRJAXUXOLH-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.40
Rot. Bonds3

About 1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine

1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine (PubChem CID 83906962) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine
PubChem CID83906962
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCC2CCSCC2)CC1
InChIInChI=1S/C10H19NS/c11-10(5-6-10)4-1-9-2-7-12-8-3-9/h9H,1-8,11H2
InChIKeyGLNQFRJAXUXOLH-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[4-(difluoromethyl)cyclohexyl]ethyl]cyclopropan-1-amine
CID 105471508
N-methyl-1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine
CID 84669062
1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine
CID 115074209
1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine
CID 105443651
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine
CID 115074188
1-[2-(3-fluorocyclohexyl)ethyl]cyclopropan-1-amine
CID 105441799
4-(2-chloroethyl)thiane
CID 83136771
1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol
CID 115073542
1-[2-(1,2,6-trimethylpiperidin-4-yl)ethyl]cyclopropan-1-amine
CID 83909582
3-(2-cyclopentylethyl)oxolan-3-amine
CID 130479308
4-butyl-1-hexylcyclohexan-1-amine
CID 65020342
1-(2-pyrrolidin-3-ylethyl)cyclohexan-1-amine
CID 115074244

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine (CID 83906962) is 1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine is NC1(CCC2CCSCC2)CC1.
What is the InChIKey of 1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine?
The InChIKey is GLNQFRJAXUXOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c11-10(5-6-10)4-1-9-2-7-12-8-3-9/h9H,1-8,11H2.
What are the key properties of 1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine?
1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 83906962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).