N-methyl-1,1-dioxothian-4-amine;hydrochloride

C6H14ClNO2S — CID 50944287

IUPACN-methyl-1,1-dioxothian-4-amine;hydrochloride
SMILESCNC1CCS(=O)(=O)CC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-7-6-2-4-10(8,9)5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKeySKCUNZJJXXZULG-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.20
Rot. Bonds1

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

N-methyl-1,1-dioxothian-4-amine;hydrochloride (PubChem CID 50944287) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is N-methyl-1,1-dioxothian-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1,1-dioxothian-4-amine;hydrochloride
PubChem CID50944287
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC NameN-methyl-1,1-dioxothian-4-amine;hydrochloride
SMILESCNC1CCS(=O)(=O)CC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-7-6-2-4-10(8,9)5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKeySKCUNZJJXXZULG-UHFFFAOYSA-N
XLogP0.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Ethylamino)tetrahydrothiophene 1,1-dioxide
CID 2772117
Thiosulfuric acid, S-(2-((tetrahydro-2H-thiopyran-4-yl)amino)ethyl) ester, S,S-dioxide
CID 97661
4-Amino-1lambda6-thiane-1,1-dione hydrochloride
CID 518319
(1-Methanesulfonylpropan-2-yl)(methyl)amine
CID 54592895
Tetrahydro-N-methylthiophen-3-amine 1,1-dioxide
CID 2736805
3-(Methylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 2770817
(3-Methanesulfonylbutan-2-yl)(methyl)amine
CID 54593119
2H-Thiopyran-4-amine, tetrahydro-, 1,1-dioxide
CID 418808
3-(Ethylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16248236
4-Methanesulfonylpiperidine hydrochloride
CID 23061698
3-aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride
CID 54592845
4-(Ethanesulfonyl)piperidine hydrochloride
CID 67529535

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxothian-4-amine;hydrochloride?
The IUPAC name of N-methyl-1,1-dioxothian-4-amine;hydrochloride (CID 50944287) is N-methyl-1,1-dioxothian-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-1,1-dioxothian-4-amine;hydrochloride?
The canonical SMILES for N-methyl-1,1-dioxothian-4-amine;hydrochloride is CNC1CCS(=O)(=O)CC1.Cl.
What is the InChIKey of N-methyl-1,1-dioxothian-4-amine;hydrochloride?
The InChIKey is SKCUNZJJXXZULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-7-6-2-4-10(8,9)5-3-6;/h6-7H,2-5H2,1H3;1H.
What are the key properties of N-methyl-1,1-dioxothian-4-amine;hydrochloride?
N-methyl-1,1-dioxothian-4-amine;hydrochloride has a molecular weight of 199.70 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxothian-4-amine;hydrochloride is sourced from PubChem (CID 50944287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).