(1,1-dioxothiolan-3-yl)methanamine;hydrochloride

C5H12ClNO2S — CID 11286884

IUPAC(1,1-dioxothiolan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S.ClH/c6-3-5-1-2-9(7,8)4-5;/h5H,1-4,6H2;1H
InChIKeyLAPURRGGAAHWRW-UHFFFAOYSA-N
MW185.68 g/mol
LogP-0.20
Rot. Bonds1

About (1,1-dioxothiolan-3-yl)methanamine;hydrochloride

(1,1-dioxothiolan-3-yl)methanamine;hydrochloride (PubChem CID 11286884) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)methanamine;hydrochloride
PubChem CID11286884
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name(1,1-dioxothiolan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1CCS(=O)(=O)C1
InChIInChI=1S/C5H11NO2S.ClH/c6-3-5-1-2-9(7,8)4-5;/h5H,1-4,6H2;1H
InChIKeyLAPURRGGAAHWRW-UHFFFAOYSA-N
XLogP-0.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Aminoethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 200360
3-(Aminomethyl)-1lambda6-thiolane-1,1-dione
CID 2772225
3-Aminotetrahydrothiopene 1,1-dioxide hydrochloride
CID 2795201
1-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)methanamine hydrochloride
CID 47000751
(R)-Tetrahydrothiophen-3-amine 1,1-dioxide hydrochloride
CID 67041261
2-(Aminomethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 121207655
3-[(Methylamino)methyl]-1lambda6-thiolane-1,1-dione
CID 53536960
3-[(Methylamino)methyl]-1lambda6-thiolane-1,1-dione hydrochloride
CID 53536959
2-Cyclopropylmethanesulfonylethan-1-amine hydrochloride
CID 71756419
3-(2-Aminoethyl)-1lambda6-thietane-1,1-dione hydrochloride
CID 75525617
Aminosulfolane
CID 20509051
2-(1,1-Dioxidotetrahydro-3-thienyl)ethanamine
CID 200361

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)methanamine;hydrochloride?
The IUPAC name of (1,1-dioxothiolan-3-yl)methanamine;hydrochloride (CID 11286884) is (1,1-dioxothiolan-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)methanamine;hydrochloride?
The canonical SMILES for (1,1-dioxothiolan-3-yl)methanamine;hydrochloride is Cl.NCC1CCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)methanamine;hydrochloride?
The InChIKey is LAPURRGGAAHWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.ClH/c6-3-5-1-2-9(7,8)4-5;/h5H,1-4,6H2;1H.
What are the key properties of (1,1-dioxothiolan-3-yl)methanamine;hydrochloride?
(1,1-dioxothiolan-3-yl)methanamine;hydrochloride has a molecular weight of 185.68 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 (1,1-dioxothiolan-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 11286884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).