(3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium

C10H20N5O2S+ — CID 167407465

IUPAC(3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium
SMILESCn1cc(N([C@@H]2CCC[NH+](C)C2)S(N)(=O)=O)cn1
InChIInChI=1S/C10H19N5O2S/c1-13-5-3-4-9(7-13)15(18(11,16)17)10-6-12-14(2)8-10/h6,8-9H,3-5,7H2,1-2H3,(H2,11,16,17)/p+1/t9-/m1/s1
InChIKeyKMWXUQWAOSPGIC-SECBINFHSA-O
MW274.37 g/mol
LogP-1.89
Rot. Bonds3

About (3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium

(3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium (PubChem CID 167407465) has the molecular formula C10H20N5O2S+ and a molecular weight of 274.37 g/mol. Its IUPAC name is (3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium.

Molecular Properties

Compound Name(3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium
PubChem CID167407465
Molecular FormulaC10H20N5O2S+
Molecular Weight274.37 g/mol
Exact Mass274.13
IUPAC Name(3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium
SMILESCn1cc(N([C@@H]2CCC[NH+](C)C2)S(N)(=O)=O)cn1
InChIInChI=1S/C10H19N5O2S/c1-13-5-3-4-9(7-13)15(18(11,16)17)10-6-12-14(2)8-10/h6,8-9H,3-5,7H2,1-2H3,(H2,11,16,17)/p+1/t9-/m1/s1
InChIKeyKMWXUQWAOSPGIC-SECBINFHSA-O
XLogP-1.89
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(1-cyclopropylpyrazol-4-yl)-sulfamoylamino]-1-methylpiperidin-1-ium
CID 167407404
(3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride
CID 155389382
4-[(5-fluoro-1-methylpyrazol-4-yl)-sulfamoylamino]-1-methylpiperidin-1-ium
CID 167407460
1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 175712963
1-(2,4-diethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 175712998
N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 155737799
1-(2,5-diethylfuran-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 175713048
1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine
CID 155396534
[2-methyl-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]propan-2-yl]carbamoyl 2,2,2-trifluoroacetate
CID 175108911
1-(5-chloro-2-propan-2-ylthiophen-3-yl)-3-[[(3S)-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 155388875
N-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 119893081
N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide
CID 62062243

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium?
The IUPAC name of (3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium (CID 167407465) is (3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium.
What is the SMILES notation for (3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium?
The canonical SMILES for (3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium is Cn1cc(N([C@@H]2CCC[NH+](C)C2)S(N)(=O)=O)cn1.
What is the InChIKey of (3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium?
The InChIKey is KMWXUQWAOSPGIC-SECBINFHSA-O. The full InChI is InChI=1S/C10H19N5O2S/c1-13-5-3-4-9(7-13)15(18(11,16)17)10-6-12-14(2)8-10/h6,8-9H,3-5,7H2,1-2H3,(H2,11,16,17)/p+1/t9-/m1/s1.
What are the key properties of (3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium?
(3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium has a molecular weight of 274.37 g/mol, XLogP of -1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium is sourced from PubChem (CID 167407465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).