4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide

C10H17N5O3S — CID 16780082

IUPAC4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide
SMILESCN1CCN(S(=O)(=O)c2c[nH]c(C(=O)NN)c2)CC1
InChIInChI=1S/C10H17N5O3S/c1-14-2-4-15(5-3-14)19(17,18)8-6-9(12-7-8)10(16)13-11/h6-7,12H,2-5,11H2,1H3,(H,13,16)
InChIKeyNFEHYEWUYCKALH-UHFFFAOYSA-N
MW287.34 g/mol
LogP-1.45
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide

4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide (PubChem CID 16780082) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide
PubChem CID16780082
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide
SMILESCN1CCN(S(=O)(=O)c2c[nH]c(C(=O)NN)c2)CC1
InChIInChI=1S/C10H17N5O3S/c1-14-2-4-15(5-3-14)19(17,18)8-6-9(12-7-8)10(16)13-11/h6-7,12H,2-5,11H2,1H3,(H,13,16)
InChIKeyNFEHYEWUYCKALH-UHFFFAOYSA-N
XLogP-1.45
TPSA111.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119629959
5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide
CID 16780083
N-(2-hydroxyethyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 43392938
N-butyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106265
4-(4-acetylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 29034568
N-[(2S)-1-aminopropan-2-yl]-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 120508302
4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
CID 18104892
N-[2-(methylamino)ethyl]-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 119503707
4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 43440229
N-[3-(aminomethyl)pentan-3-yl]-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119571549
2-[(4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carbonyl)amino]butanoic acid
CID 119223662
5-(hydrazinecarbonyl)-N,N-dipropyl-1H-pyrrole-3-sulfonamide
CID 16780236

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide (CID 16780082) is 4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide is CN1CCN(S(=O)(=O)c2c[nH]c(C(=O)NN)c2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide?
The InChIKey is NFEHYEWUYCKALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-14-2-4-15(5-3-14)19(17,18)8-6-9(12-7-8)10(16)13-11/h6-7,12H,2-5,11H2,1H3,(H,13,16).
What are the key properties of 4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide?
4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide has a molecular weight of 287.34 g/mol, XLogP of -1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 16780082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).