1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine

C11H24N2S — CID 43296805

IUPAC1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
SMILESCCC(C)C(N)CN(C)C1CCSC1
InChIInChI=1S/C11H24N2S/c1-4-9(2)11(12)7-13(3)10-5-6-14-8-10/h9-11H,4-8,12H2,1-3H3
InChIKeyLAUGNFKYNQSMCY-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.80
Rot. Bonds5

About 1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine

1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine (PubChem CID 43296805) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
PubChem CID43296805
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
SMILESCCC(C)C(N)CN(C)C1CCSC1
InChIInChI=1S/C11H24N2S/c1-4-9(2)11(12)7-13(3)10-5-6-14-8-10/h9-11H,4-8,12H2,1-3H3
InChIKeyLAUGNFKYNQSMCY-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Thiolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 107132585
N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132839
N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine
CID 112737916
[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine
CID 131067548
N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655873
N,N-dimethyl-1-(4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655878
4-(ethylsulfanylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 53776738
N,N-dimethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
CID 53910332
N-ethyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine
CID 53930399
4-(ethylsulfanylmethyl)-N-methylpyrrolidin-3-amine
CID 53964468
2-[[(2R)-1-methylpyrrolidin-2-yl]methylsulfanyl]ethanamine
CID 53979036
(3-Pentyl-1,3-thiazolidin-4-yl)methanamine
CID 68605554

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
The IUPAC name of 1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine (CID 43296805) is 1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
The canonical SMILES for 1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine is CCC(C)C(N)CN(C)C1CCSC1.
What is the InChIKey of 1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
The InChIKey is LAUGNFKYNQSMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-4-9(2)11(12)7-13(3)10-5-6-14-8-10/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine is sourced from PubChem (CID 43296805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).