2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine

C15H30N2S — CID 62262879

IUPAC2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CN2CCSCC2)CCCC1
InChIInChI=1S/C15H30N2S/c1-14(2)11-16-12-15(5-3-4-6-15)13-17-7-9-18-10-8-17/h14,16H,3-13H2,1-2H3
InChIKeyAROWPNHRZSMBPC-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.84
Rot. Bonds6

About 2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine

2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 62262879) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
PubChem CID62262879
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CN2CCSCC2)CCCC1
InChIInChI=1S/C15H30N2S/c1-14(2)11-16-12-15(5-3-4-6-15)13-17-7-9-18-10-8-17/h14,16H,3-13H2,1-2H3
InChIKeyAROWPNHRZSMBPC-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine (CID 62262879) is 2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine is CC(C)CNCC1(CN2CCSCC2)CCCC1.
What is the InChIKey of 2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is AROWPNHRZSMBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-14(2)11-16-12-15(5-3-4-6-15)13-17-7-9-18-10-8-17/h14,16H,3-13H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine?
2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 270.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 62262879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).