thiane-3,5-diamine

C5H12N2S — CID 156770129

IUPACthiane-3,5-diamine
SMILESNC1CSCC(N)C1
InChIInChI=1S/C5H12N2S/c6-4-1-5(7)3-8-2-4/h4-5H,1-3,6-7H2
InChIKeyKYJFRURKQHJNJI-UHFFFAOYSA-N
MW132.23 g/mol
LogP-0.22
Rot. Bonds

About thiane-3,5-diamine

thiane-3,5-diamine (PubChem CID 156770129) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is thiane-3,5-diamine.

Molecular Properties

Compound Namethiane-3,5-diamine
PubChem CID156770129
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Namethiane-3,5-diamine
SMILESNC1CSCC(N)C1
InChIInChI=1S/C5H12N2S/c6-4-1-5(7)3-8-2-4/h4-5H,1-3,6-7H2
InChIKeyKYJFRURKQHJNJI-UHFFFAOYSA-N
XLogP-0.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine
CID 170433615
1,4,8,11-tetrathiacyclotetradecan-6-amine
CID 100983917
thiepan-3-amine
CID 14594138
1,3-dithiolan-4-amine
CID 87304051
5-phenylthian-3-amine;5-phenylthian-3-one
CID 159469856
(3S,4R)-4-aminothiolan-3-ol
CID 1361798
(3S,4R)-4-methylthiolan-3-amine
CID 55284315
thietan-3-yl-λ2-stannane
CID 173079136
(2R,4R)-4-aminothiolane-2-carboxylic acid
CID 96636367
ethane;3-thiabicyclo[3.1.0]hexane
CID 144739840
(2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride
CID 122513295
(1,2,3-13C3)cyclopropanamine
CID 76972988

Frequently Asked Questions

What is the IUPAC name of thiane-3,5-diamine?
The IUPAC name of thiane-3,5-diamine (CID 156770129) is thiane-3,5-diamine.
What is the SMILES notation for thiane-3,5-diamine?
The canonical SMILES for thiane-3,5-diamine is NC1CSCC(N)C1.
What is the InChIKey of thiane-3,5-diamine?
The InChIKey is KYJFRURKQHJNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c6-4-1-5(7)3-8-2-4/h4-5H,1-3,6-7H2.
What are the key properties of thiane-3,5-diamine?
thiane-3,5-diamine has a molecular weight of 132.23 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiane-3,5-diamine is sourced from PubChem (CID 156770129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).