1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine

C12H24N2S — CID 62071937

IUPAC1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCSC1)C(CN)C1CCCC1
InChIInChI=1S/C12H24N2S/c1-14(11-6-7-15-9-11)12(8-13)10-4-2-3-5-10/h10-12H,2-9,13H2,1H3
InChIKeyXWNXSKPSJANBFU-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.94
Rot. Bonds4

About 1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine

1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 62071937) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID62071937
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(C1CCSC1)C(CN)C1CCCC1
InChIInChI=1S/C12H24N2S/c1-14(11-6-7-15-9-11)12(8-13)10-4-2-3-5-10/h10-12H,2-9,13H2,1H3
InChIKeyXWNXSKPSJANBFU-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine (CID 62071937) is 1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine is CN(C1CCSC1)C(CN)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is XWNXSKPSJANBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-14(11-6-7-15-9-11)12(8-13)10-4-2-3-5-10/h10-12H,2-9,13H2,1H3.
What are the key properties of 1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 228.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 62071937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).