1,1-dioxothian-4-amine;hydrochloride

C5H12ClNO2S — CID 518319

IUPAC1,1-dioxothian-4-amine;hydrochloride
SMILESCl.NC1CCS(=O)(=O)CC1
InChIInChI=1S/C5H11NO2S.ClH/c6-5-1-3-9(7,8)4-2-5;/h5H,1-4,6H2;1H
InChIKeyXUECUYGAJXDZKG-UHFFFAOYSA-N
MW185.68 g/mol
LogP-0.06
Rot. Bonds

About 1,1-dioxothian-4-amine;hydrochloride

1,1-dioxothian-4-amine;hydrochloride (PubChem CID 518319) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is 1,1-dioxothian-4-amine;hydrochloride.

Molecular Properties

Compound Name1,1-dioxothian-4-amine;hydrochloride
PubChem CID518319
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name1,1-dioxothian-4-amine;hydrochloride
SMILESCl.NC1CCS(=O)(=O)CC1
InChIInChI=1S/C5H11NO2S.ClH/c6-5-1-3-9(7,8)4-2-5;/h5H,1-4,6H2;1H
InChIKeyXUECUYGAJXDZKG-UHFFFAOYSA-N
XLogP-0.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Thiophenamine, tetrahydro-, 1,1-dioxide
CID 22807
4-Methanesulfonylbutan-2-amine
CID 23562465
3-Aminotetrahydrothiopene 1,1-dioxide hydrochloride
CID 2795201
3-Amino-1$l^{6}-thiane-1,1-dione
CID 14024577
2H-Thiopyran-4-amine, tetrahydro-, 1,1-dioxide
CID 418808
3-(Ethanesulfonyl)propan-1-amine hydrochloride
CID 23089204
4-(methylamino)tetrahydro-2H-thiopyran-1,1-dioxide hydrochloride
CID 50944287
3-aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride
CID 54592845
1-Methanesulfonylpropan-2-amine hydrochloride
CID 54593155
(R)-Tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride
CID 67041261
4-Amino-1lambda4-thian-1-one hydrochloride
CID 71757968
4-Amino-2-methyl-1lambda6-thiane-1,1-dione hydrochloride
CID 132313727

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxothian-4-amine;hydrochloride?
The IUPAC name of 1,1-dioxothian-4-amine;hydrochloride (CID 518319) is 1,1-dioxothian-4-amine;hydrochloride.
What is the SMILES notation for 1,1-dioxothian-4-amine;hydrochloride?
The canonical SMILES for 1,1-dioxothian-4-amine;hydrochloride is Cl.NC1CCS(=O)(=O)CC1.
What is the InChIKey of 1,1-dioxothian-4-amine;hydrochloride?
The InChIKey is XUECUYGAJXDZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.ClH/c6-5-1-3-9(7,8)4-2-5;/h5H,1-4,6H2;1H.
What are the key properties of 1,1-dioxothian-4-amine;hydrochloride?
1,1-dioxothian-4-amine;hydrochloride has a molecular weight of 185.68 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxothian-4-amine;hydrochloride is sourced from PubChem (CID 518319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).