N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide

C15H28N6O4S2 — CID 154569315

IUPACN-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide
SMILESCCn1cc(S(=O)(=O)N[C@H]2CC[C@@H](NS(=O)(=O)N3CCN(C)CC3)C2)cn1
InChIInChI=1S/C15H28N6O4S2/c1-3-20-12-15(11-16-20)26(22,23)17-13-4-5-14(10-13)18-27(24,25)21-8-6-19(2)7-9-21/h11-14,17-18H,3-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyDOWJLYDWXJILNU-UONOGXRCSA-N
MW420.56 g/mol
LogP-0.82
Rot. Bonds7

About N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide

N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide (PubChem CID 154569315) has the molecular formula C15H28N6O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide
PubChem CID154569315
Molecular FormulaC15H28N6O4S2
Molecular Weight420.56 g/mol
Exact Mass420.16
IUPAC NameN-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide
SMILESCCn1cc(S(=O)(=O)N[C@H]2CC[C@@H](NS(=O)(=O)N3CCN(C)CC3)C2)cn1
InChIInChI=1S/C15H28N6O4S2/c1-3-20-12-15(11-16-20)26(22,23)17-13-4-5-14(10-13)18-27(24,25)21-8-6-19(2)7-9-21/h11-14,17-18H,3-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyDOWJLYDWXJILNU-UONOGXRCSA-N
XLogP-0.82
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide with MolForge

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Related Compounds

1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025089
N-(2-adamantyl)-1-ethylpyrazole-4-sulfonamide
CID 17022471
1-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025603
1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide
CID 56912861
2-[4-[(3-methylcyclobutyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 113467121
1-(3-aminopropyl)-N-(3-ethylsulfanylcyclopentyl)pyrazole-4-sulfonamide
CID 106091562
1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide
CID 106002630
cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321626
N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
CID 106059803
1-[2-(ethylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084347
1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 106072292
N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 114551690

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide?
The IUPAC name of N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide (CID 154569315) is N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide is CCn1cc(S(=O)(=O)N[C@H]2CC[C@@H](NS(=O)(=O)N3CCN(C)CC3)C2)cn1.
What is the InChIKey of N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide?
The InChIKey is DOWJLYDWXJILNU-UONOGXRCSA-N. The full InChI is InChI=1S/C15H28N6O4S2/c1-3-20-12-15(11-16-20)26(22,23)17-13-4-5-14(10-13)18-27(24,25)21-8-6-19(2)7-9-21/h11-14,17-18H,3-10H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide?
N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide has a molecular weight of 420.56 g/mol, XLogP of -0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-[(1-ethylpyrazol-4-yl)sulfonylamino]cyclopentyl]-4-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 154569315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).