2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine

C11H21NS2 — CID 102672434

IUPAC2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine
SMILESCSC1CCC(NC2CCSC2C)C1
InChIInChI=1S/C11H21NS2/c1-8-11(5-6-14-8)12-9-3-4-10(7-9)13-2/h8-12H,3-7H2,1-2H3
InChIKeyPAGXIIMOGHZXJA-UHFFFAOYSA-N
MW231.43 g/mol
LogP2.75
Rot. Bonds3

About 2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine

2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine (PubChem CID 102672434) has the molecular formula C11H21NS2 and a molecular weight of 231.43 g/mol. Its IUPAC name is 2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine
PubChem CID102672434
Molecular FormulaC11H21NS2
Molecular Weight231.43 g/mol
Exact Mass231.11
IUPAC Name2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine
SMILESCSC1CCC(NC2CCSC2C)C1
InChIInChI=1S/C11H21NS2/c1-8-11(5-6-14-8)12-9-3-4-10(7-9)13-2/h8-12H,3-7H2,1-2H3
InChIKeyPAGXIIMOGHZXJA-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-methylsulfanylcyclopentyl)oxolan-3-amine
CID 115751431
6-methyl-N-(2-methylthiolan-3-yl)piperidin-3-amine
CID 130825919
N-methyl-3-methylsulfanylcyclopentan-1-amine
CID 54595737
N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine
CID 115886375
N-(2-methylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115689388
2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine
CID 102672829
4-[(2-methylthiolan-3-yl)amino]pyrrolidin-2-one
CID 106182616
tert-butyl 3-[(2-methylthiolan-3-yl)amino]pyrrolidine-1-carboxylate
CID 102672017
1-ethyl-N-(2-methylthiolan-3-yl)piperidin-3-amine
CID 102671684
N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115721250
N-(2-methylpropyl)-3-methylsulfanylcyclopentan-1-amine
CID 115876615
N-(3-methylsulfanylcyclopentyl)-2-propan-2-yloxan-4-amine
CID 103930710

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine?
The IUPAC name of 2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine (CID 102672434) is 2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine?
The canonical SMILES for 2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine is CSC1CCC(NC2CCSC2C)C1.
What is the InChIKey of 2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine?
The InChIKey is PAGXIIMOGHZXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS2/c1-8-11(5-6-14-8)12-9-3-4-10(7-9)13-2/h8-12H,3-7H2,1-2H3.
What are the key properties of 2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine?
2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine has a molecular weight of 231.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylsulfanylcyclopentyl)thiolan-3-amine is sourced from PubChem (CID 102672434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).