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

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine
CID 61210978
N-[(1-methylcyclobutyl)methyl]thian-4-amine;hydrochloride
CID 115680419
4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol
CID 65117892
N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 119156808
1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine;hydroiodide
CID 119157662
N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119157675
1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 119146428
2-N,2-N,2-trimethyl-1-N-(thian-4-yl)propane-1,2-diamine
CID 43394916
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methylguanidine
CID 119157534
1-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine
CID 119157801
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine
CID 65083602
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[3-(dimethylamino)thiolan-3-yl]methyl]-2-methylguanidine;hydroiodide
CID 119157533

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).