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

C6H14ClNO2S — CID 84669194

IUPAC(1,1-dioxothian-3-yl)methanamine;hydrochloride
SMILESCl.NCC1CCCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S.ClH/c7-4-6-2-1-3-10(8,9)5-6;/h6H,1-5,7H2;1H
InChIKeyFDLFDGSBMRKHLJ-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.19
Rot. Bonds1

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

(1,1-dioxothian-3-yl)methanamine;hydrochloride (PubChem CID 84669194) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is (1,1-dioxothian-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1,1-dioxothian-3-yl)methanamine;hydrochloride
PubChem CID84669194
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Name(1,1-dioxothian-3-yl)methanamine;hydrochloride
SMILESCl.NCC1CCCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S.ClH/c7-4-6-2-1-3-10(8,9)5-6;/h6H,1-5,7H2;1H
InChIKeyFDLFDGSBMRKHLJ-UHFFFAOYSA-N
XLogP0.19
TPSA60.16 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 ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(chloromethyl)thiane 1,1-dioxide
CID 124510199
1-[2-(1,1-dioxothian-3-yl)ethyl]cyclopentan-1-amine
CID 115074208
4-(1,1-dioxothian-3-yl)but-2-yn-1-ol
CID 117265411
2-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-dioxolan-4-yl]ethanamine
CID 117169224
3-(2-nitropropyl)thiane 1,1-dioxide
CID 105477643
(3R)-1,1-dioxothiolan-3-amine;hydrochloride
CID 67041261
1,1-dioxothiolan-3-amine;hydrochloride
CID 2795201
(1,1-dioxothiepan-4-yl)methylhydrazine
CID 84664356
N-[(1,1-dioxothian-3-yl)methyl]propanamide
CID 138722362
5-[(1,1-dioxothian-3-yl)methyl]-1,2-oxazol-3-amine
CID 115094200
1-(azetidin-3-yl)-3-[(1,1-dioxothian-3-yl)methyl]urea
CID 117235143
3-(1,3-oxazolidin-2-ylmethyl)thiane 1,1-dioxide
CID 117225725

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-3-yl)methanamine;hydrochloride?
The IUPAC name of (1,1-dioxothian-3-yl)methanamine;hydrochloride (CID 84669194) is (1,1-dioxothian-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (1,1-dioxothian-3-yl)methanamine;hydrochloride?
The canonical SMILES for (1,1-dioxothian-3-yl)methanamine;hydrochloride is Cl.NCC1CCCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothian-3-yl)methanamine;hydrochloride?
The InChIKey is FDLFDGSBMRKHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c7-4-6-2-1-3-10(8,9)5-6;/h6H,1-5,7H2;1H.
What are the key properties of (1,1-dioxothian-3-yl)methanamine;hydrochloride?
(1,1-dioxothian-3-yl)methanamine;hydrochloride has a molecular weight of 199.70 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 84669194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).