N-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine

C12H24N2S — CID 64679296

IUPACN-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine
SMILESCN(CCC1(N)CCCC1)C1CCSC1
InChIInChI=1S/C12H24N2S/c1-14(11-4-9-15-10-11)8-7-12(13)5-2-3-6-12/h11H,2-10,13H2,1H3
InChIKeyHSPVKVPJLLYCGI-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.09
Rot. Bonds4

About N-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine

N-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine (PubChem CID 64679296) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine
PubChem CID64679296
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine
SMILESCN(CCC1(N)CCCC1)C1CCSC1
InChIInChI=1S/C12H24N2S/c1-14(11-4-9-15-10-11)8-7-12(13)5-2-3-6-12/h11H,2-10,13H2,1H3
InChIKeyHSPVKVPJLLYCGI-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-Dimethyl-1-thia-8-azaspiro[4.5]decan-3-amine
CID 66993394
N-[1-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine
CID 43296513
2-N-methyl-2-propyl-2-N-(thiolan-3-yl)pentane-1,2-diamine
CID 43296517
2-ethyl-2-N,4-dimethyl-2-N-(thiolan-3-yl)hexane-1,2-diamine
CID 43296522
N-[(1-aminocyclohexyl)methyl]-N-methylthiolan-3-amine
CID 43296795
N-[2-(aminomethyl)cyclohexyl]-N-methylthiolan-3-amine
CID 43530799
N-[2-(aminomethyl)cyclopentyl]-N-methylthiolan-3-amine
CID 43530800
N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methylthiolan-3-amine
CID 55051674
N-methyl-N-[[2-(propylamino)cyclopentyl]methyl]thiolan-3-amine
CID 55093646
N-[(1-aminocyclopentyl)methyl]-N-methylthiolan-3-amine
CID 60854629
N-(2-cyclopentylethyl)thiolan-3-amine
CID 60920682
1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 62071937

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine (CID 64679296) is N-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine is CN(CCC1(N)CCCC1)C1CCSC1.
What is the InChIKey of N-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine?
The InChIKey is HSPVKVPJLLYCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-14(11-4-9-15-10-11)8-7-12(13)5-2-3-6-12/h11H,2-10,13H2,1H3.
What are the key properties of N-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine?
N-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine has a molecular weight of 228.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 64679296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).