4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine

C14H28N2S — CID 114173727

IUPAC4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine
SMILESCC1CCCC(NCCN2CCSCC2)CC1
InChIInChI=1S/C14H28N2S/c1-13-3-2-4-14(6-5-13)15-7-8-16-9-11-17-12-10-16/h13-15H,2-12H2,1H3
InChIKeyILKJERILYSUNNW-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.59
Rot. Bonds4

About 4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine

4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine (PubChem CID 114173727) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine
PubChem CID114173727
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine
SMILESCC1CCCC(NCCN2CCSCC2)CC1
InChIInChI=1S/C14H28N2S/c1-13-3-2-4-14(6-5-13)15-7-8-16-9-11-17-12-10-16/h13-15H,2-12H2,1H3
InChIKeyILKJERILYSUNNW-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.59
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
4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride
CID 154577414
N-(2-thiomorpholin-4-ylethyl)thian-4-amine
CID 115623278
3,4-dimethyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104854192
4-methoxy-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 104530558
3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 62573742
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888
N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-4-methylcyclohexan-1-amine
CID 62556569
1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
CID 103783176
N-(2-thiomorpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609632
3-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 64501657

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine?
The IUPAC name of 4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine (CID 114173727) is 4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine?
The canonical SMILES for 4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine is CC1CCCC(NCCN2CCSCC2)CC1.
What is the InChIKey of 4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine?
The InChIKey is ILKJERILYSUNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-13-3-2-4-14(6-5-13)15-7-8-16-9-11-17-12-10-16/h13-15H,2-12H2,1H3.
What are the key properties of 4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine?
4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine has a molecular weight of 256.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-thiomorpholin-4-ylethyl)cycloheptan-1-amine is sourced from PubChem (CID 114173727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).