3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine

C8H18N2S — CID 101075992

IUPAC3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine
SMILESCN(C)C1CSCC1N(C)C
InChIInChI=1S/C8H18N2S/c1-9(2)7-5-11-6-8(7)10(3)4/h7-8H,5-6H2,1-4H3
InChIKeyFTXUPTWNROUKFY-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.59
Rot. Bonds2

About 3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine

3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine (PubChem CID 101075992) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine
PubChem CID101075992
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine
SMILESCN(C)C1CSCC1N(C)C
InChIInChI=1S/C8H18N2S/c1-9(2)7-5-11-6-8(7)10(3)4/h7-8H,5-6H2,1-4H3
InChIKeyFTXUPTWNROUKFY-UHFFFAOYSA-N
XLogP0.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(dimethylamino)-1,3-dithiane-2,2-dicarbonitrile
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ethane;3-thiabicyclo[3.1.0]hexane
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3-(2-tritioethyl)thietane
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N,N,2-trimethylcyclopentan-1-amine
CID 23553747
(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 55281587
(4S)-N,N,4-trimethylpyrrolidin-3-amine
CID 142439406
(2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine
CID 158852291
N,N-dimethylcyclobutanamine;N,N-dimethylmethanamine;ethane
CID 143754899

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine?
The IUPAC name of 3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine (CID 101075992) is 3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine.
What is the SMILES notation for 3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine?
The canonical SMILES for 3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine is CN(C)C1CSCC1N(C)C.
What is the InChIKey of 3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine?
The InChIKey is FTXUPTWNROUKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-9(2)7-5-11-6-8(7)10(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine?
3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine has a molecular weight of 174.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-N,4-N-tetramethylthiolane-3,4-diamine is sourced from PubChem (CID 101075992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).