N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide

C7H14N2O3S2 — CID 116656564

IUPACN-methyl-3-methylsulfonylthiomorpholine-4-carboxamide
SMILESCNC(=O)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C7H14N2O3S2/c1-8-7(10)9-3-4-13-5-6(9)14(2,11)12/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyCAQRNQBUPRMOBP-UHFFFAOYSA-N
MW238.33 g/mol
LogP-0.25
Rot. Bonds1

About N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide

N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide (PubChem CID 116656564) has the molecular formula C7H14N2O3S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-3-methylsulfonylthiomorpholine-4-carboxamide
PubChem CID116656564
Molecular FormulaC7H14N2O3S2
Molecular Weight238.33 g/mol
Exact Mass238.04
IUPAC NameN-methyl-3-methylsulfonylthiomorpholine-4-carboxamide
SMILESCNC(=O)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C7H14N2O3S2/c1-8-7(10)9-3-4-13-5-6(9)14(2,11)12/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyCAQRNQBUPRMOBP-UHFFFAOYSA-N
XLogP-0.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloropropanoyl)-3-methylsulfonylthiomorpholine-4-carboxamide
CID 66381919
(2S)-3-methyl-2-[(3-methylsulfonylthiomorpholine-4-carbonyl)amino]butanoic acid
CID 66382893
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylethanone
CID 66382518
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylpropan-1-one
CID 107031839
4-(3-methylsulfonylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 66384140
3-(3-methylsulfonylthiomorpholin-4-yl)-3-oxopropanethioamide
CID 66384218
2-[2-[(3-methylsulfonylthiomorpholine-4-carbonyl)amino]ethoxy]acetic acid
CID 79463963
5-[(3-methylsulfonylthiomorpholine-4-carbonyl)amino]hexanoic acid
CID 82847444
(2S)-3-methyl-2-[(3-methylsulfonylthiomorpholine-4-carbonyl)amino]pentanoic acid
CID 66384043
3-methoxy-2-[(3-methylsulfonylthiomorpholine-4-carbonyl)amino]propanoic acid
CID 81081683
3-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one
CID 66384162
4-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66383779

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide?
The IUPAC name of N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide (CID 116656564) is N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide?
The canonical SMILES for N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide is CNC(=O)N1CCSCC1S(C)(=O)=O.
What is the InChIKey of N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide?
The InChIKey is CAQRNQBUPRMOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S2/c1-8-7(10)9-3-4-13-5-6(9)14(2,11)12/h6H,3-5H2,1-2H3,(H,8,10).
What are the key properties of N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide?
N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide is sourced from PubChem (CID 116656564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).