N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C16H27N7O2S — CID 119161148

IUPACN'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESCS(=O)(=O)NC1CCCC1C/N=C(\N)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H27N7O2S/c1-26(24,25)21-14-5-2-4-13(14)12-20-15(17)22-8-10-23(11-9-22)16-18-6-3-7-19-16/h3,6-7,13-14,21H,2,4-5,8-12H2,1H3,(H2,17,20)
InChIKeyZMXIUQSMACNFOV-UHFFFAOYSA-N
MW381.51 g/mol
LogP-0.37
Rot. Bonds5

About N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 119161148) has the molecular formula C16H27N7O2S and a molecular weight of 381.51 g/mol. Its IUPAC name is N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID119161148
Molecular FormulaC16H27N7O2S
Molecular Weight381.51 g/mol
Exact Mass381.19
IUPAC NameN'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESCS(=O)(=O)NC1CCCC1C/N=C(\N)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H27N7O2S/c1-26(24,25)21-14-5-2-4-13(14)12-20-15(17)22-8-10-23(11-9-22)16-18-6-3-7-19-16/h3,6-7,13-14,21H,2,4-5,8-12H2,1H3,(H2,17,20)
InChIKeyZMXIUQSMACNFOV-UHFFFAOYSA-N
XLogP-0.37
TPSA116.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[[2-(methanesulfonamido)cyclohexyl]methyl]azepane-1-carboximidamide
CID 120973217
N'-(2-bicyclo[2.2.1]heptanylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119120739
N'-[[(2R)-oxolan-2-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122097338
N'-[(3-methoxyoxan-4-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122097394
N'-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120972934
2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]-N-propan-2-ylacetamide
CID 119117614
1-cyclopentyl-2-[[2-(methanesulfonamido)cyclopentyl]methyl]guanidine;hydroiodide
CID 119161149
N'-[2-[cyclopropyl(methyl)amino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119120397
N'-[(5-oxo-1-propylpyrrolidin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122101684
N'-[(1-methylsulfanylcyclopropyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120605910
N'-[(4-methyl-3-methylsulfonylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 120580542
N-[1-(cyclohexanecarbonyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 146472018

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 119161148) is N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is CS(=O)(=O)NC1CCCC1C/N=C(\N)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is ZMXIUQSMACNFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7O2S/c1-26(24,25)21-14-5-2-4-13(14)12-20-15(17)22-8-10-23(11-9-22)16-18-6-3-7-19-16/h3,6-7,13-14,21H,2,4-5,8-12H2,1H3,(H2,17,20).
What are the key properties of N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 381.51 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(methanesulfonamido)cyclopentyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 119161148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).