1-imino-1-oxothian-4-amine;dihydrochloride

C5H14Cl2N2OS — CID 155977735

IUPAC1-imino-1-oxothian-4-amine;dihydrochloride
SMILESCl.Cl.[H]N=S1(=O)CCC(N)CC1
InChIInChI=1S/C5H12N2OS.2ClH/c6-5-1-3-9(7,8)4-2-5;;/h5,7H,1-4,6H2;2*1H
InChIKeyXXKLLTWWGLWTQA-UHFFFAOYSA-N
MW221.15 g/mol
LogP1.00
Rot. Bonds

About 1-imino-1-oxothian-4-amine;dihydrochloride

1-imino-1-oxothian-4-amine;dihydrochloride (PubChem CID 155977735) has the molecular formula C5H14Cl2N2OS and a molecular weight of 221.15 g/mol. Its IUPAC name is 1-imino-1-oxothian-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-imino-1-oxothian-4-amine;dihydrochloride
PubChem CID155977735
Molecular FormulaC5H14Cl2N2OS
Molecular Weight221.15 g/mol
Exact Mass220.02
IUPAC Name1-imino-1-oxothian-4-amine;dihydrochloride
SMILESCl.Cl.[H]N=S1(=O)CCC(N)CC1
InChIInChI=1S/C5H12N2OS.2ClH/c6-5-1-3-9(7,8)4-2-5;;/h5,7H,1-4,6H2;2*1H
InChIKeyXXKLLTWWGLWTQA-UHFFFAOYSA-N
XLogP1.00
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-imino-1-oxothian-4-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Amino-1lambda6-thiane-1,1-dione hydrochloride
CID 518319
4-Amino-1lambda4-thian-1-one hydrochloride
CID 71757968
4-Amino-1lambda4-thian-1-one
CID 12090248
4-Amino-1-imino-1lambda6-thian-1-one
CID 155977736
Trans-3-Aminotetrahydro-2h-thiopyran1-oxide
CID 14024575
(1S,3R)-3-Aminotetrahydro-2H-thiopyran1-oxide
CID 96005778
3-Aminotetrahydro-2H-thiopyran 1-oxide
CID 14024574
(3R)-1-oxothian-3-amine
CID 55289953
1-Methylidene-1-oxothian-4-amine
CID 58127122
2h-Thiopyran-3-amine, tetrahydro-, 1-oxide, trans-
CID 90399899
Ethane;1-oxothian-4-amine
CID 144443950
1-Oxothiane-3,4-diamine
CID 145558750

Frequently Asked Questions

What is the IUPAC name of 1-imino-1-oxothian-4-amine;dihydrochloride?
The IUPAC name of 1-imino-1-oxothian-4-amine;dihydrochloride (CID 155977735) is 1-imino-1-oxothian-4-amine;dihydrochloride.
What is the SMILES notation for 1-imino-1-oxothian-4-amine;dihydrochloride?
The canonical SMILES for 1-imino-1-oxothian-4-amine;dihydrochloride is Cl.Cl.[H]N=S1(=O)CCC(N)CC1.
What is the InChIKey of 1-imino-1-oxothian-4-amine;dihydrochloride?
The InChIKey is XXKLLTWWGLWTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS.2ClH/c6-5-1-3-9(7,8)4-2-5;;/h5,7H,1-4,6H2;2*1H.
What are the key properties of 1-imino-1-oxothian-4-amine;dihydrochloride?
1-imino-1-oxothian-4-amine;dihydrochloride has a molecular weight of 221.15 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-1-oxothian-4-amine;dihydrochloride is sourced from PubChem (CID 155977735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).