3-cyclopropyl-1-(thian-2-yl)propan-1-amine

C11H21NS — CID 80626885

IUPAC3-cyclopropyl-1-(thian-2-yl)propan-1-amine
SMILESNC(CCC1CC1)C1CCCCS1
InChIInChI=1S/C11H21NS/c12-10(7-6-9-4-5-9)11-3-1-2-8-13-11/h9-11H,1-8,12H2
InChIKeySNLPJTQTSVTTNW-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.79
Rot. Bonds4

About 3-cyclopropyl-1-(thian-2-yl)propan-1-amine

3-cyclopropyl-1-(thian-2-yl)propan-1-amine (PubChem CID 80626885) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-(thian-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(thian-2-yl)propan-1-amine
PubChem CID80626885
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name3-cyclopropyl-1-(thian-2-yl)propan-1-amine
SMILESNC(CCC1CC1)C1CCCCS1
InChIInChI=1S/C11H21NS/c12-10(7-6-9-4-5-9)11-3-1-2-8-13-11/h9-11H,1-8,12H2
InChIKeySNLPJTQTSVTTNW-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-(thian-2-yl)butan-1-amine
CID 114856664
4-methyl-1-(thiolan-2-yl)pentan-1-amine
CID 80622583
4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine
CID 80626361
1-cyclooctyl-3-cyclopropylpropan-1-amine
CID 80603761
5-methyl-1-(thiolan-2-yl)hexan-1-amine
CID 83160752
1-(thiolan-2-yl)hexan-1-amine
CID 80622704
1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 80626558
(1S)-1-(thian-2-yl)ethanamine
CID 104932067
3-cyclohexyl-1-cyclopropylpropan-1-amine
CID 63355132
2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80621767
1-(thiolan-2-yl)but-3-en-1-amine
CID 80622584
2-(4-chlorophenyl)-1-(thian-2-yl)ethanamine
CID 80627768

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(thian-2-yl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-1-(thian-2-yl)propan-1-amine (CID 80626885) is 3-cyclopropyl-1-(thian-2-yl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-(thian-2-yl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-(thian-2-yl)propan-1-amine is NC(CCC1CC1)C1CCCCS1.
What is the InChIKey of 3-cyclopropyl-1-(thian-2-yl)propan-1-amine?
The InChIKey is SNLPJTQTSVTTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c12-10(7-6-9-4-5-9)11-3-1-2-8-13-11/h9-11H,1-8,12H2.
What are the key properties of 3-cyclopropyl-1-(thian-2-yl)propan-1-amine?
3-cyclopropyl-1-(thian-2-yl)propan-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(thian-2-yl)propan-1-amine is sourced from PubChem (CID 80626885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).