2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide

C10H18N4O2S2 — CID 112664023

IUPAC2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C10H18N4O2S2/c1-4-8(7-17-3)14(2)18(15,16)9-5-12-10(11)13-6-9/h5-6,8H,4,7H2,1-3H3,(H2,11,12,13)
InChIKeyNBQBBKRIFKYZHY-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.82
Rot. Bonds6

About 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide

2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide (PubChem CID 112664023) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide
PubChem CID112664023
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C10H18N4O2S2/c1-4-8(7-17-3)14(2)18(15,16)9-5-12-10(11)13-6-9/h5-6,8H,4,7H2,1-3H3,(H2,11,12,13)
InChIKeyNBQBBKRIFKYZHY-UHFFFAOYSA-N
XLogP0.82
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrimidine-5-sulfonamide
CID 19091293
5-(isopropylsulfonyl)-2-tetrahydro-1H-pyrrol-1-ylpyrimidin-4-amine
CID 2819755
5-(2-Methylpropane-2-sulfonyl)pyrimidine-2,4-diamine
CID 2778671
2-Chloro-5-methanesulfonylpyrimidine
CID 15653482
2-Aminopyrimidine-5-sulfonyl chloride
CID 15885618
2-Amino-5-pyrimidinesulfonamide
CID 53420996
5-Methanesulfonylpyrimidin-2-amine
CID 57587959
5-Methanesulfonyl-2-(methylsulfanyl)pyrimidin-4-amine
CID 82392895
2-Methyl-5-(propylsulfonyl)pyrimidin-4-amine
CID 2778662
5-(Methanesulfonyl)pyrimidine
CID 13546183
2-amino-N,N-dimethylpyrimidine-5-sulfonamide
CID 62150682
5-(Ethanesulfonyl)pyrimidin-4-amine hydrochloride
CID 86775574

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide (CID 112664023) is 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide is CCC(CSC)N(C)S(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide?
The InChIKey is NBQBBKRIFKYZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-4-8(7-17-3)14(2)18(15,16)9-5-12-10(11)13-6-9/h5-6,8H,4,7H2,1-3H3,(H2,11,12,13).
What are the key properties of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide?
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 112664023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).