N-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide

C10H16N4O3S2 — CID 56880491

IUPACN-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCS(=O)(=O)N(C)C)cn1
InChIInChI=1S/C10H16N4O3S2/c1-14(2)19(16,17)5-4-11-9(15)8-6-12-10(18-3)13-7-8/h6-7H,4-5H2,1-3H3,(H,11,15)
InChIKeyHSNDFWOOSWVIRB-UHFFFAOYSA-N
MW304.40 g/mol
LogP-0.18
Rot. Bonds6

About N-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide

N-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 56880491) has the molecular formula C10H16N4O3S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID56880491
Molecular FormulaC10H16N4O3S2
Molecular Weight304.40 g/mol
Exact Mass304.07
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCS(=O)(=O)N(C)C)cn1
InChIInChI=1S/C10H16N4O3S2/c1-14(2)19(16,17)5-4-11-9(15)8-6-12-10(18-3)13-7-8/h6-7H,4-5H2,1-3H3,(H,11,15)
InChIKeyHSNDFWOOSWVIRB-UHFFFAOYSA-N
XLogP-0.18
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}-5-pyrimidinecarboxamide
CID 72918635
2-(ethylamino)-N-(tetrahydro-3-thienyl)-5-pyrimidinecarboxamide
CID 72932963
7-(Ethylthio)pyrimido[4,5-d]pyrimidin-4(3H)-one
CID 135424359
2-ethyl-N-[2-(isobutylsulfonyl)ethyl]-5-pyrimidinecarboxamide
CID 72879630
N-ethyl-5-(4-thiomorpholinylcarbonyl)-2-pyrimidinamine
CID 72939360
2-isopropyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}pyrimidine-5-carboxamide
CID 74232485
N-(1,1-dioxido-2,3-dihydro-3-thienyl)-2-isopropylpyrimidine-5-carboxamide
CID 74233606
N-(1-methylpyrrolidin-3-yl)-2-(methylthio)pyrimidine-5-carboxamide
CID 91779180
4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide
CID 138035664
4-amino-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 142557253
4-amino-N-(3,3-difluoroprop-2-enyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 170006202
4-Amino-N-cyclopropyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
CID 50743342

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide (CID 56880491) is N-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NCCS(=O)(=O)N(C)C)cn1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is HSNDFWOOSWVIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S2/c1-14(2)19(16,17)5-4-11-9(15)8-6-12-10(18-3)13-7-8/h6-7H,4-5H2,1-3H3,(H,11,15).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
N-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 304.40 g/mol, XLogP of -0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 56880491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).