4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide

C15H23N5O4S — CID 23238854

IUPAC4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide
SMILESCC(C)NC(=C[N+](=O)[O-])NS(=O)(=O)c1cnccc1NC1CCCC1
InChIInChI=1S/C15H23N5O4S/c1-11(2)17-15(10-20(21)22)19-25(23,24)14-9-16-8-7-13(14)18-12-5-3-4-6-12/h7-12,17,19H,3-6H2,1-2H3,(H,16,18)
InChIKeyBVFNCEOCCNHVJS-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.79
Rot. Bonds8

About 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide

4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide (PubChem CID 23238854) has the molecular formula C15H23N5O4S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide
PubChem CID23238854
Molecular FormulaC15H23N5O4S
Molecular Weight369.45 g/mol
Exact Mass369.15
IUPAC Name4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide
SMILESCC(C)NC(=C[N+](=O)[O-])NS(=O)(=O)c1cnccc1NC1CCCC1
InChIInChI=1S/C15H23N5O4S/c1-11(2)17-15(10-20(21)22)19-25(23,24)14-9-16-8-7-13(14)18-12-5-3-4-6-12/h7-12,17,19H,3-6H2,1-2H3,(H,16,18)
InChIKeyBVFNCEOCCNHVJS-UHFFFAOYSA-N
XLogP1.79
TPSA126.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide
CID 23238853
[4-(cyclooctylamino)-3-pyridinyl]sulfonylcarbamodithioic acid
CID 10044029
1-cyano-3-[[4-(cyclopentylamino)-3-pyridinyl]sulfonyl]-2-propan-2-ylguanidine
CID 10247317
1-[[4-(cyclooctylamino)-3-pyridinyl]sulfonyl]-3-ethylthiourea
CID 3025730
N-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboxamide
CID 10385136
1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea
CID 91248865
4-(cycloheptylamino)pyridine-3-carboxylic acid
CID 81232550
1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea
CID 142675963
1-[2-amino-4-(cyclooctylamino)pyrimidin-5-yl]sulfonyl-3-propan-2-ylthiourea
CID 19860390
4-(cyclobutylamino)pyridine-3-carboxylic acid
CID 81243809
N-cyano-N'-[[4-(cycloheptylamino)-3-pyridinyl]sulfonyl]piperidine-1-carboximidamide
CID 10408953
4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
CID 99977473

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide?
The IUPAC name of 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide (CID 23238854) is 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide is CC(C)NC(=C[N+](=O)[O-])NS(=O)(=O)c1cnccc1NC1CCCC1.
What is the InChIKey of 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide?
The InChIKey is BVFNCEOCCNHVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4S/c1-11(2)17-15(10-20(21)22)19-25(23,24)14-9-16-8-7-13(14)18-12-5-3-4-6-12/h7-12,17,19H,3-6H2,1-2H3,(H,16,18).
What are the key properties of 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide?
4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide has a molecular weight of 369.45 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 23238854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).