cyclopentyl(1,4-dithian-2-yl)methanamine

C10H19NS2 — CID 79972497

IUPACcyclopentyl(1,4-dithian-2-yl)methanamine
SMILESNC(C1CCCC1)C1CSCCS1
InChIInChI=1S/C10H19NS2/c11-10(8-3-1-2-4-8)9-7-12-5-6-13-9/h8-10H,1-7,11H2
InChIKeyWZSHAOZPCZZFPS-UHFFFAOYSA-N
MW217.40 g/mol
LogP2.35
Rot. Bonds2

About cyclopentyl(1,4-dithian-2-yl)methanamine

cyclopentyl(1,4-dithian-2-yl)methanamine (PubChem CID 79972497) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is cyclopentyl(1,4-dithian-2-yl)methanamine.

Molecular Properties

Compound Namecyclopentyl(1,4-dithian-2-yl)methanamine
PubChem CID79972497
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC Namecyclopentyl(1,4-dithian-2-yl)methanamine
SMILESNC(C1CCCC1)C1CSCCS1
InChIInChI=1S/C10H19NS2/c11-10(8-3-1-2-4-8)9-7-12-5-6-13-9/h8-10H,1-7,11H2
InChIKeyWZSHAOZPCZZFPS-UHFFFAOYSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl(1,4-dithian-2-yl)methanamine
CID 82932305
cycloheptyl(thiolan-2-yl)methanamine
CID 82932614
N-[cycloheptyl(1,4-dithian-2-yl)methyl]ethanamine
CID 82932401
oxan-4-yl(thian-2-yl)methanamine
CID 80626243
1,4-dithian-2-yl-(4-methylcyclohexyl)methanol
CID 79973457
cycloheptyl(cyclohexyl)methanamine
CID 65399873
1,4-dithian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79972508
(4-methylcyclohexyl)-(thiolan-3-yl)methanamine
CID 105153829
cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 82931537
[1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine
CID 105249196
1-(1,4-dithian-2-yl)-N-methylpropan-1-amine
CID 79966250
(3,5-difluorophenyl)-(1,4-dithian-2-yl)methanamine
CID 79971780

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(1,4-dithian-2-yl)methanamine?
The IUPAC name of cyclopentyl(1,4-dithian-2-yl)methanamine (CID 79972497) is cyclopentyl(1,4-dithian-2-yl)methanamine.
What is the SMILES notation for cyclopentyl(1,4-dithian-2-yl)methanamine?
The canonical SMILES for cyclopentyl(1,4-dithian-2-yl)methanamine is NC(C1CCCC1)C1CSCCS1.
What is the InChIKey of cyclopentyl(1,4-dithian-2-yl)methanamine?
The InChIKey is WZSHAOZPCZZFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS2/c11-10(8-3-1-2-4-8)9-7-12-5-6-13-9/h8-10H,1-7,11H2.
What are the key properties of cyclopentyl(1,4-dithian-2-yl)methanamine?
cyclopentyl(1,4-dithian-2-yl)methanamine has a molecular weight of 217.40 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(1,4-dithian-2-yl)methanamine is sourced from PubChem (CID 79972497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).