[1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine

C6H12N4OS — CID 154577689

IUPAC[1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine
SMILES[H]N=S(C)(=O)c1cn(C)nc1CN
InChIInChI=1S/C6H12N4OS/c1-10-4-6(12(2,8)11)5(3-7)9-10/h4,8H,3,7H2,1-2H3
InChIKeyPMMRKNXZMUALMF-UHFFFAOYSA-N
MW188.26 g/mol
LogP-0.09
Rot. Bonds2

About [1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine

[1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine (PubChem CID 154577689) has the molecular formula C6H12N4OS and a molecular weight of 188.26 g/mol. Its IUPAC name is [1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine
PubChem CID154577689
Molecular FormulaC6H12N4OS
Molecular Weight188.26 g/mol
Exact Mass188.07
IUPAC Name[1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine
SMILES[H]N=S(C)(=O)c1cn(C)nc1CN
InChIInChI=1S/C6H12N4OS/c1-10-4-6(12(2,8)11)5(3-7)9-10/h4,8H,3,7H2,1-2H3
InChIKeyPMMRKNXZMUALMF-UHFFFAOYSA-N
XLogP-0.09
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-methylpyrazol-3-yl)methanamine;hydrochloride
CID 91758961
N-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine
CID 164925291
3-ethyl-N-(ethylsulfonimidoyl)-1-methylpyrazol-4-amine
CID 164648393
3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79850425
[1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine
CID 79485117
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide
CID 107462576
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-methyl-2-methylsulfonylpropanamide
CID 113430305
4-amino-1-methylpyrazole-3-sulfonamide
CID 122673402
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
(2R,5R)-1,4-bis[(1,3-dimethylpyrazol-4-yl)sulfonyl]-2,5-dimethylpiperazine
CID 98337206
2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-methylpyrazol-3-amine
CID 25248279
3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine
CID 103078693

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine (CID 154577689) is [1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine is [H]N=S(C)(=O)c1cn(C)nc1CN.
What is the InChIKey of [1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine?
The InChIKey is PMMRKNXZMUALMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4OS/c1-10-4-6(12(2,8)11)5(3-7)9-10/h4,8H,3,7H2,1-2H3.
What are the key properties of [1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine?
[1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine has a molecular weight of 188.26 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(methylsulfonimidoyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 154577689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).