1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine

C10H19NS — CID 105157232

IUPAC1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine
SMILESCNC(C1CC1)C1(C)CCCS1
InChIInChI=1S/C10H19NS/c1-10(6-3-7-12-10)9(11-2)8-4-5-8/h8-9,11H,3-7H2,1-2H3
InChIKeyPIJJUBZMXNCHAN-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.27
Rot. Bonds3

About 1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine

1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine (PubChem CID 105157232) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine
PubChem CID105157232
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine
SMILESCNC(C1CC1)C1(C)CCCS1
InChIInChI=1S/C10H19NS/c1-10(6-3-7-12-10)9(11-2)8-4-5-8/h8-9,11H,3-7H2,1-2H3
InChIKeyPIJJUBZMXNCHAN-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)butan-1-amine
CID 105156418
N-ethyl-5,5,5-trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine
CID 105174283
N-ethyl-5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine
CID 105174351
5,5,5-trifluoro-N-methyl-1-(thiolan-3-yl)pentan-1-amine
CID 105174375
5,5,5-trifluoro-N-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine
CID 105174408
5,5,5-trifluoro-N-propyl-1-(thiolan-3-yl)pentan-1-amine
CID 113688933
5,5,5-trifluoro-1-(2-methylthiolan-2-yl)-N-propylpentan-1-amine
CID 113688949
2-(3,3-difluorocyclohexyl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 114225867
1-cyclopropyl-N-methyl-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627238
(5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine
CID 54471029
[4-(4-Tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine
CID 59525171
1-(cyclopropylmethyl)-N-ethyl-3-(propylsulfanylmethyl)cyclobutan-1-amine
CID 69128321

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine (CID 105157232) is 1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine is CNC(C1CC1)C1(C)CCCS1.
What is the InChIKey of 1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine?
The InChIKey is PIJJUBZMXNCHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-10(6-3-7-12-10)9(11-2)8-4-5-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine?
1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine has a molecular weight of 185.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-1-(2-methylthiolan-2-yl)methanamine is sourced from PubChem (CID 105157232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).