2-cyclopropyl-1-(thiolan-3-yl)ethanamine

C9H17NS — CID 105152914

IUPAC2-cyclopropyl-1-(thiolan-3-yl)ethanamine
SMILESNC(CC1CC1)C1CCSC1
InChIInChI=1S/C9H17NS/c10-9(5-7-1-2-7)8-3-4-11-6-8/h7-9H,1-6,10H2
InChIKeyWXVHQWUENABESG-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.87
Rot. Bonds3

About 2-cyclopropyl-1-(thiolan-3-yl)ethanamine

2-cyclopropyl-1-(thiolan-3-yl)ethanamine (PubChem CID 105152914) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(thiolan-3-yl)ethanamine
PubChem CID105152914
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-cyclopropyl-1-(thiolan-3-yl)ethanamine
SMILESNC(CC1CC1)C1CCSC1
InChIInChI=1S/C9H17NS/c10-9(5-7-1-2-7)8-3-4-11-6-8/h7-9H,1-6,10H2
InChIKeyWXVHQWUENABESG-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(thiolan-3-yl)butan-1-amine
CID 105083374
1-(thiolan-3-yl)octan-1-amine
CID 105124991
1-(thiolan-3-yl)heptan-1-amine
CID 105126325
2-cyclopropyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 103595894
2-(4-iodophenyl)-1-(thiolan-3-yl)ethanamine
CID 105151993
2-(2-bromophenyl)-1-(thiolan-3-yl)ethanamine
CID 105087716
1,2-di(cyclobutyl)ethanamine
CID 65456758
(4-methylcyclohexyl)-(thiolan-3-yl)methanamine
CID 105153829
2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide
CID 107132959
2-naphthalen-1-yl-1-(thiolan-3-yl)ethanamine
CID 105131271
2-methyl-1-(thiolan-3-yl)pentan-1-amine
CID 107893917
3-amino-2,2-dimethyl-3-(thiolan-3-yl)propan-1-ol
CID 131162508

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(thiolan-3-yl)ethanamine (CID 105152914) is 2-cyclopropyl-1-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(thiolan-3-yl)ethanamine is NC(CC1CC1)C1CCSC1.
What is the InChIKey of 2-cyclopropyl-1-(thiolan-3-yl)ethanamine?
The InChIKey is WXVHQWUENABESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c10-9(5-7-1-2-7)8-3-4-11-6-8/h7-9H,1-6,10H2.
What are the key properties of 2-cyclopropyl-1-(thiolan-3-yl)ethanamine?
2-cyclopropyl-1-(thiolan-3-yl)ethanamine has a molecular weight of 171.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 105152914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).