N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide

C11H21NO5S2 — CID 136530241

IUPACN-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide
SMILESCC(CS(C)(=O)=O)N(C)C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C11H21NO5S2/c1-9(8-18(3,14)15)12(2)11(13)10-6-4-5-7-19(10,16)17/h9-10H,4-8H2,1-3H3
InChIKeyJHYPTPRXCXLPNX-UHFFFAOYSA-N
MW311.43 g/mol
LogP-0.15
Rot. Bonds4

About N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide

N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide (PubChem CID 136530241) has the molecular formula C11H21NO5S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide
PubChem CID136530241
Molecular FormulaC11H21NO5S2
Molecular Weight311.43 g/mol
Exact Mass311.09
IUPAC NameN-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide
SMILESCC(CS(C)(=O)=O)N(C)C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C11H21NO5S2/c1-9(8-18(3,14)15)12(2)11(13)10-6-4-5-7-19(10,16)17/h9-10H,4-8H2,1-3H3
InChIKeyJHYPTPRXCXLPNX-UHFFFAOYSA-N
XLogP-0.15
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-chloropropan-2-yl)-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104555649
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,1-dioxothiane-2-carboxamide
CID 113422081
N-(2-aminoethyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide
CID 113421782
2-[(1,1-dioxothiane-2-carbonyl)-methylamino]acetic acid
CID 104517408
2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185161
3-[(1,1-dioxothiane-2-carbonyl)-ethylamino]butanoic acid
CID 104517569
3-[(1,1-dioxothiane-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 113421832
N-(3-chloropropyl)-1,1-dioxo-N-propan-2-ylthiane-2-carboxamide
CID 104522223
ethyl 2-[(1,1-dioxothiane-2-carbonyl)-propan-2-ylamino]acetate
CID 104520869
N-(2-bromoethyl)-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104522278
1-(1,1-dioxothian-2-yl)hexan-1-one
CID 114967006
N-(2-chloro-3-methoxypropyl)-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104522258

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide?
The IUPAC name of N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide (CID 136530241) is N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide is CC(CS(C)(=O)=O)N(C)C(=O)C1CCCCS1(=O)=O.
What is the InChIKey of N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide?
The InChIKey is JHYPTPRXCXLPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S2/c1-9(8-18(3,14)15)12(2)11(13)10-6-4-5-7-19(10,16)17/h9-10H,4-8H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide?
N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfonylpropan-2-yl)-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 136530241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).