(3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine

C7H16N2S — CID 6932629

IUPAC(3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
SMILESCN(C)[C@]1(CN)CCSC1
InChIInChI=1S/C7H16N2S/c1-9(2)7(5-8)3-4-10-6-7/h3-6,8H2,1-2H3/t7-/m0/s1
InChIKeyQSPJOBDYLWKZPW-ZETCQYMHSA-N
MW160.29 g/mol
LogP0.38
Rot. Bonds2

About (3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine

(3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine (PubChem CID 6932629) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
PubChem CID6932629
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name(3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
SMILESCN(C)[C@]1(CN)CCSC1
InChIInChI=1S/C7H16N2S/c1-9(2)7(5-8)3-4-10-6-7/h3-6,8H2,1-2H3/t7-/m0/s1
InChIKeyQSPJOBDYLWKZPW-ZETCQYMHSA-N
XLogP0.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 114995668
3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 114996951
3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 2779827
3-(Aminomethyl)-3-(N,N-dimethylamino)tetramethylene Sulfoxide
CID 67060899
N,N-dimethyl-3-[(propan-2-ylamino)methyl]thiolan-3-amine
CID 115906079
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine
CID 130440236
(3R,4S)-3-N,3,4-trimethylthiolane-3,4-diamine
CID 135208170
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine;ethane
CID 145087557
2-(aminomethyl)-N,N-dimethylthiolan-2-amine
CID 174638114
[(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium
CID 6932626
(3R)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 6932627
[(3S)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium
CID 6932628

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine?
The IUPAC name of (3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine (CID 6932629) is (3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine.
What is the SMILES notation for (3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine?
The canonical SMILES for (3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine is CN(C)[C@]1(CN)CCSC1.
What is the InChIKey of (3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine?
The InChIKey is QSPJOBDYLWKZPW-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2S/c1-9(2)7(5-8)3-4-10-6-7/h3-6,8H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine?
(3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine has a molecular weight of 160.29 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine is sourced from PubChem (CID 6932629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).