N-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine

C21H34N4O2S — CID 143227968

IUPACN-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine
SMILESCCCCCn1nc(N(C)CC)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21
InChIInChI=1S/C21H34N4O2S/c1-5-7-8-13-25-20-10-9-18(16-19(20)21(22-25)23(4)6-2)28(26,27)24-14-11-17(3)12-15-24/h9-10,16-17H,5-8,11-15H2,1-4H3
InChIKeyLTYIWCYXEVTPTL-UHFFFAOYSA-N
MW406.60 g/mol
LogP4.10
Rot. Bonds8

About N-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine

N-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine (PubChem CID 143227968) has the molecular formula C21H34N4O2S and a molecular weight of 406.60 g/mol. Its IUPAC name is N-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine
PubChem CID143227968
Molecular FormulaC21H34N4O2S
Molecular Weight406.60 g/mol
Exact Mass406.24
IUPAC NameN-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine
SMILESCCCCCn1nc(N(C)CC)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21
InChIInChI=1S/C21H34N4O2S/c1-5-7-8-13-25-20-10-9-18(16-19(20)21(22-25)23(4)6-2)28(26,27)24-14-11-17(3)12-15-24/h9-10,16-17H,5-8,11-15H2,1-4H3
InChIKeyLTYIWCYXEVTPTL-UHFFFAOYSA-N
XLogP4.10
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine
CID 59648213
1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole
CID 110760379
1-[(2,6-dichlorophenyl)methyl]-5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-N,N-diethylindazol-3-amine
CID 59648243
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide
CID 109063454
3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide
CID 18848821
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
1-(4-methylpiperidin-1-yl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butan-1-one
CID 53028639
N-butyl-N-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-1-ium-2-ylquinoline-4-carboxamide
CID 3546220
N-butyl-N-methyl-2-[7-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide
CID 53122452

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine?
The IUPAC name of N-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine (CID 143227968) is N-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine.
What is the SMILES notation for N-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine?
The canonical SMILES for N-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine is CCCCCn1nc(N(C)CC)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21.
What is the InChIKey of N-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine?
The InChIKey is LTYIWCYXEVTPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2S/c1-5-7-8-13-25-20-10-9-18(16-19(20)21(22-25)23(4)6-2)28(26,27)24-14-11-17(3)12-15-24/h9-10,16-17H,5-8,11-15H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine?
N-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine has a molecular weight of 406.60 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine is sourced from PubChem (CID 143227968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).