2-methyl-1-(thian-2-yl)cyclopropan-1-amine

C9H17NS — CID 84654227

IUPAC2-methyl-1-(thian-2-yl)cyclopropan-1-amine
SMILESCC1CC1(N)C1CCCCS1
InChIInChI=1S/C9H17NS/c1-7-6-9(7,10)8-4-2-3-5-11-8/h7-8H,2-6,10H2,1H3
InChIKeyFFKOKKYDJVAIPM-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.01
Rot. Bonds1

About 2-methyl-1-(thian-2-yl)cyclopropan-1-amine

2-methyl-1-(thian-2-yl)cyclopropan-1-amine (PubChem CID 84654227) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-methyl-1-(thian-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(thian-2-yl)cyclopropan-1-amine
PubChem CID84654227
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-methyl-1-(thian-2-yl)cyclopropan-1-amine
SMILESCC1CC1(N)C1CCCCS1
InChIInChI=1S/C9H17NS/c1-7-6-9(7,10)8-4-2-3-5-11-8/h7-8H,2-6,10H2,1H3
InChIKeyFFKOKKYDJVAIPM-UHFFFAOYSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(oxan-2-yl)cyclopropan-1-amine
CID 84650279
2-methyl-2-(thian-2-yl)piperidine
CID 117271242
2-methyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227319
2-methyl-1-(thian-2-yl)propan-2-amine
CID 84654748
N-(3-amino-2,2-dimethylpropyl)-N-methylthiane-2-carboxamide
CID 80594937
thiepan-2-amine
CID 175886388
1-amino-2,6-dimethylcyclohexan-1-ol
CID 176657357
5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one
CID 117158944
(1S)-1-(thian-2-yl)ethanamine
CID 104932067
thiane-2-carboxamide
CID 54328325
methyl 2-(thian-2-yl)pyrrolidine-2-carboxylate
CID 115103266
2-methyl-1-(oxan-3-yl)cyclopropan-1-amine
CID 79332209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(thian-2-yl)cyclopropan-1-amine?
The IUPAC name of 2-methyl-1-(thian-2-yl)cyclopropan-1-amine (CID 84654227) is 2-methyl-1-(thian-2-yl)cyclopropan-1-amine.
What is the SMILES notation for 2-methyl-1-(thian-2-yl)cyclopropan-1-amine?
The canonical SMILES for 2-methyl-1-(thian-2-yl)cyclopropan-1-amine is CC1CC1(N)C1CCCCS1.
What is the InChIKey of 2-methyl-1-(thian-2-yl)cyclopropan-1-amine?
The InChIKey is FFKOKKYDJVAIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-7-6-9(7,10)8-4-2-3-5-11-8/h7-8H,2-6,10H2,1H3.
What are the key properties of 2-methyl-1-(thian-2-yl)cyclopropan-1-amine?
2-methyl-1-(thian-2-yl)cyclopropan-1-amine has a molecular weight of 171.31 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(thian-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 84654227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).