2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine

C13H26N2S — CID 115719262

IUPAC2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine
SMILESCC1(C)CCCC1NCCN1CCSCC1
InChIInChI=1S/C13H26N2S/c1-13(2)5-3-4-12(13)14-6-7-15-8-10-16-11-9-15/h12,14H,3-11H2,1-2H3
InChIKeyBONZVULEPWKARC-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.20
Rot. Bonds4

About 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine

2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine (PubChem CID 115719262) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine
PubChem CID115719262
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine
SMILESCC1(C)CCCC1NCCN1CCSCC1
InChIInChI=1S/C13H26N2S/c1-13(2)5-3-4-12(13)14-6-7-15-8-10-16-11-9-15/h12,14H,3-11H2,1-2H3
InChIKeyBONZVULEPWKARC-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
N-(2-thiomorpholin-4-ylethyl)thian-4-amine
CID 115623278
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclopropan-1-amine
CID 107911542
N-ethyl-2,2-dimethylcyclopentan-1-amine;hydrochloride
CID 154577104
2-methyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 62573622
2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine
CID 114173755
3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol
CID 79865194
N-[2-(azepan-1-yl)ethyl]-3,3-dimethylpiperidin-4-amine
CID 114235418
4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine
CID 114173727
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
CID 104695058

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine (CID 115719262) is 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine is CC1(C)CCCC1NCCN1CCSCC1.
What is the InChIKey of 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine?
The InChIKey is BONZVULEPWKARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-13(2)5-3-4-12(13)14-6-7-15-8-10-16-11-9-15/h12,14H,3-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine?
2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine has a molecular weight of 242.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclopentan-1-amine is sourced from PubChem (CID 115719262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).