N-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide

C15H21N5O4S — CID 47044490

IUPACN-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1
InChIInChI=1S/C15H21N5O4S/c1-25(23,24)17-8-12-3-2-6-18(10-12)11-19-15-5-4-14(20(21)22)7-13(15)9-16-19/h4-5,7,9,12,17H,2-3,6,8,10-11H2,1H3
InChIKeyXVPZCFIFSORULD-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.16
Rot. Bonds6

About N-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 47044490) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID47044490
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC NameN-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1
InChIInChI=1S/C15H21N5O4S/c1-25(23,24)17-8-12-3-2-6-18(10-12)11-19-15-5-4-14(20(21)22)7-13(15)9-16-19/h4-5,7,9,12,17H,2-3,6,8,10-11H2,1H3
InChIKeyXVPZCFIFSORULD-UHFFFAOYSA-N
XLogP1.16
TPSA110.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
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

1-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-nitroindazole
CID 35956497
(3R)-1-[(5-nitroindazol-1-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 35976837
N-[[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide
CID 42960358
ethyl 1-[(5-nitroindazol-1-yl)methyl]piperidine-4-carboxylate
CID 29427718
2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide
CID 47060658
2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 46665054
N-[[1-(2-iodo-5-nitrobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 55842422
(2,4-dimethylphenyl)-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]methanone
CID 32794355
1-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-nitroindazole
CID 29427799
1-(1-ethylpiperidin-4-yl)-5-nitroindazole
CID 68610601
2-[1-[(6-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide
CID 47060708
[1-[(5-nitro-1,3-benzoxazol-2-yl)methyl]piperidin-3-yl]methanol
CID 111912633

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide (CID 47044490) is N-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1.
What is the InChIKey of N-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is XVPZCFIFSORULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-25(23,24)17-8-12-3-2-6-18(10-12)11-19-15-5-4-14(20(21)22)7-13(15)9-16-19/h4-5,7,9,12,17H,2-3,6,8,10-11H2,1H3.
What are the key properties of N-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-nitroindazol-1-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 47044490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).