(3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride

C10H20ClN5O2S — CID 155389382

IUPAC(3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride
SMILESCN1CCC[C@H](N(c2cnn(C)c2)S(N)(=O)=O)C1.Cl
InChIInChI=1S/C10H19N5O2S.ClH/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);1H/t9-;/m0./s1
InChIKeyLDVHWMSLQPGKNT-FVGYRXGTSA-N
MW309.82 g/mol
LogP-0.05
Rot. Bonds3

About (3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride

(3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride (PubChem CID 155389382) has the molecular formula C10H20ClN5O2S and a molecular weight of 309.82 g/mol. Its IUPAC name is (3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride
PubChem CID155389382
Molecular FormulaC10H20ClN5O2S
Molecular Weight309.82 g/mol
Exact Mass309.10
IUPAC Name(3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride
SMILESCN1CCC[C@H](N(c2cnn(C)c2)S(N)(=O)=O)C1.Cl
InChIInChI=1S/C10H19N5O2S.ClH/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);1H/t9-;/m0./s1
InChIKeyLDVHWMSLQPGKNT-FVGYRXGTSA-N
XLogP-0.05
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium
CID 167407465
N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 155737799
1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine
CID 155396534
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
1-(2,5-diethylfuran-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 175713048
[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
sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide
CID 158189065
(3S)-3-[(1-cyclopropylpyrazol-4-yl)-sulfamoylamino]-1-methylpiperidin-1-ium
CID 167407404
1-[2,5-di(propan-2-yl)thiophen-3-yl]-1-[[(3R)-1-methylpiperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea
CID 175712985
1-methyl-N'-[(3R)-1-methylpiperidin-3-yl]pyrazole-4-sulfonohydrazide;hydrochloride
CID 175713036

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride?
The IUPAC name of (3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride (CID 155389382) is (3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride.
What is the SMILES notation for (3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride?
The canonical SMILES for (3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride is CN1CCC[C@H](N(c2cnn(C)c2)S(N)(=O)=O)C1.Cl.
What is the InChIKey of (3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride?
The InChIKey is LDVHWMSLQPGKNT-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H19N5O2S.ClH/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);1H/t9-;/m0./s1.
What are the key properties of (3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride?
(3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride has a molecular weight of 309.82 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride is sourced from PubChem (CID 155389382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).