[(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium

C7H18N2S+2 — CID 6932626

IUPAC[(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium
SMILESC[NH+](C)[C@@]1(C[NH3+])CCSC1
InChIInChI=1S/C7H16N2S/c1-9(2)7(5-8)3-4-10-6-7/h3-6,8H2,1-2H3/p+2/t7-/m1/s1
InChIKeyQSPJOBDYLWKZPW-SSDOTTSWSA-P
MW162.30 g/mol
LogP-1.75
Rot. Bonds2

About [(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium

[(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium (PubChem CID 6932626) has the molecular formula C7H18N2S+2 and a molecular weight of 162.30 g/mol. Its IUPAC name is [(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium.

Molecular Properties

Compound Name[(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium
PubChem CID6932626
Molecular FormulaC7H18N2S+2
Molecular Weight162.30 g/mol
Exact Mass162.12
IUPAC Name[(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium
SMILESC[NH+](C)[C@@]1(C[NH3+])CCSC1
InChIInChI=1S/C7H16N2S/c1-9(2)7(5-8)3-4-10-6-7/h3-6,8H2,1-2H3/p+2/t7-/m1/s1
InChIKeyQSPJOBDYLWKZPW-SSDOTTSWSA-P
XLogP-1.75
TPSA32.08 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 2779827
3-((Methylthio)methyl)pyrrolidin-3-amine
CID 19382168
4-(ethylsulfanylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 53776738
4-(Ethylsulfanylmethyl)pyrrolidin-3-amine
CID 53918466
3-(Aminomethyl)-3-(N,N-dimethylamino)tetramethylene Sulfoxide
CID 67060899
N'-(thiolan-3-ylmethyl)ethane-1,2-diamine
CID 70458288
Trimethyl-[2-[3-methyl-3-(methylamino)butyl]sulfanylethyl]azanium
CID 90979090
Trimethyl-[3-[3-methyl-3-(methylamino)butyl]sulfanylpropyl]azanium
CID 91466944
N,N-dimethyl-3-[(propan-2-ylamino)methyl]thiolan-3-amine
CID 115906079
2-Thia-6,9-diazaspiro[4.5]decane
CID 118210313
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine
CID 130440236
(3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine
CID 135208170

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium?
The IUPAC name of [(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium (CID 6932626) is [(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium.
What is the SMILES notation for [(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium?
The canonical SMILES for [(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium is C[NH+](C)[C@@]1(C[NH3+])CCSC1.
What is the InChIKey of [(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium?
The InChIKey is QSPJOBDYLWKZPW-SSDOTTSWSA-P. The full InChI is InChI=1S/C7H16N2S/c1-9(2)7(5-8)3-4-10-6-7/h3-6,8H2,1-2H3/p+2/t7-/m1/s1.
What are the key properties of [(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium?
[(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium has a molecular weight of 162.30 g/mol, XLogP of -1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium is sourced from PubChem (CID 6932626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).