N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride

C6H14ClNO2S — CID 18559021

IUPACN,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
SMILESCNC1(C)CCS(=O)(=O)C1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-6(7-2)3-4-10(8,9)5-6;/h7H,3-5H2,1-2H3;1H
InChIKeyKKOABHQEKCTCJY-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.20
Rot. Bonds1

About N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride

N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride (PubChem CID 18559021) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride.

Molecular Properties

Compound NameN,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
PubChem CID18559021
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC NameN,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
SMILESCNC1(C)CCS(=O)(=O)C1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-6(7-2)3-4-10(8,9)5-6;/h7H,3-5H2,1-2H3;1H
InChIKeyKKOABHQEKCTCJY-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-methyl-N-(2-methylbutyl)-1,1-dioxothiolan-3-amine
CID 43679704
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]carbamodithioic acid
CID 7058895
2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7059103
1-amino-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclopropane-1-carboxamide
CID 65464423
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
N-cyclohexyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679840
[(3S)-3-methyl-1,1-dioxothiolan-3-yl]carbamothioylsulfanyl N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]carbamodithioate
CID 51496111
N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679751
1,1-dimethyl-3-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]thiourea
CID 7178379
N-[(E)-but-2-enyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 103608632
3-chloro-2-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 62727568
3-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]propanoic acid
CID 129366944

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride?
The IUPAC name of N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride (CID 18559021) is N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride.
What is the SMILES notation for N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride?
The canonical SMILES for N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride is CNC1(C)CCS(=O)(=O)C1.Cl.
What is the InChIKey of N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride?
The InChIKey is KKOABHQEKCTCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-6(7-2)3-4-10(8,9)5-6;/h7H,3-5H2,1-2H3;1H.
What are the key properties of N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride?
N,3-dimethyl-1,1-dioxothiolan-3-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,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride is sourced from PubChem (CID 18559021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).