N-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine

C12H24N2S2 — CID 115673924

IUPACN-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine
SMILESCN(C)C1(CNC2CCSCC2)CCSC1
InChIInChI=1S/C12H24N2S2/c1-14(2)12(5-8-16-10-12)9-13-11-3-6-15-7-4-11/h11,13H,3-10H2,1-2H3
InChIKeyNLXUCLBZVWRGJQ-UHFFFAOYSA-N
MW260.47 g/mol
LogP1.91
Rot. Bonds4

About N-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine

N-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine (PubChem CID 115673924) has the molecular formula C12H24N2S2 and a molecular weight of 260.47 g/mol. Its IUPAC name is N-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine.

Molecular Properties

Compound NameN-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine
PubChem CID115673924
Molecular FormulaC12H24N2S2
Molecular Weight260.47 g/mol
Exact Mass260.14
IUPAC NameN-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine
SMILESCN(C)C1(CNC2CCSCC2)CCSC1
InChIInChI=1S/C12H24N2S2/c1-14(2)12(5-8-16-10-12)9-13-11-3-6-15-7-4-11/h11,13H,3-10H2,1-2H3
InChIKeyNLXUCLBZVWRGJQ-UHFFFAOYSA-N
XLogP1.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Aminomethyl-2-methyl-3-athyl-thiomorpholin
CID 110192120
3-(Fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine
CID 115030968
N-(2-pyrrolidin-1-ylethyl)thian-4-amine
CID 43394934
9-Tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
CID 58245057
4-Tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
CID 58245165
(2-Pyrrolidin-1-ylethyl)(tetrahydrothiopyran-4-yl)amine hydrochloride
CID 69228494
N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine
CID 70458048
4-Propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane
CID 91192754
N,N-dimethyl-3-[(propan-2-ylamino)methyl]thiolan-3-amine
CID 115906079
2-ethylsulfanyl-N-methyl-1-(2-methylpiperazin-2-yl)ethanamine
CID 124012829
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine
CID 130440236
2-(Thiolan-3-yl)piperazine
CID 131967174

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine?
The IUPAC name of N-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine (CID 115673924) is N-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine.
What is the SMILES notation for N-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine?
The canonical SMILES for N-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine is CN(C)C1(CNC2CCSCC2)CCSC1.
What is the InChIKey of N-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine?
The InChIKey is NLXUCLBZVWRGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S2/c1-14(2)12(5-8-16-10-12)9-13-11-3-6-15-7-4-11/h11,13H,3-10H2,1-2H3.
What are the key properties of N-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine?
N-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine has a molecular weight of 260.47 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)thiolan-3-yl]methyl]thian-4-amine is sourced from PubChem (CID 115673924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).