1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine

C12H19ClN2O3S2 — CID 99858914

IUPAC1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine
SMILESCc1cc(S(=O)(=O)N2CCO[C@H](CN(C)C)C2)sc1Cl
InChIInChI=1S/C12H19ClN2O3S2/c1-9-6-11(19-12(9)13)20(16,17)15-4-5-18-10(8-15)7-14(2)3/h6,10H,4-5,7-8H2,1-3H3/t10-/m1/s1
InChIKeyKWJNHJFDBFBJOJ-SNVBAGLBSA-N
MW338.88 g/mol
LogP1.66
Rot. Bonds4

About 1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine

1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine (PubChem CID 99858914) has the molecular formula C12H19ClN2O3S2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine
PubChem CID99858914
Molecular FormulaC12H19ClN2O3S2
Molecular Weight338.88 g/mol
Exact Mass338.05
IUPAC Name1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine
SMILESCc1cc(S(=O)(=O)N2CCO[C@H](CN(C)C)C2)sc1Cl
InChIInChI=1S/C12H19ClN2O3S2/c1-9-6-11(19-12(9)13)20(16,17)15-4-5-18-10(8-15)7-14(2)3/h6,10H,4-5,7-8H2,1-3H3/t10-/m1/s1
InChIKeyKWJNHJFDBFBJOJ-SNVBAGLBSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol
CID 103100198
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 103100505
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine
CID 103100544
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 120707091
4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
CID 43562749
methyl 2-[4-(5-bromo-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]acetate
CID 79931537
(3aS,6aR)-5-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120714104
1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 103100405
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120713704
ethyl 1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 103100561
2-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride
CID 120712849
(1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine
CID 99852857

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine (CID 99858914) is 1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine is Cc1cc(S(=O)(=O)N2CCO[C@H](CN(C)C)C2)sc1Cl.
What is the InChIKey of 1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is KWJNHJFDBFBJOJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19ClN2O3S2/c1-9-6-11(19-12(9)13)20(16,17)15-4-5-18-10(8-15)7-14(2)3/h6,10H,4-5,7-8H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine?
1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 338.88 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(5-chloro-4-methylthiophen-2-yl)sulfonylmorpholin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 99858914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).