N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine

C12H22N4O2S — CID 61494543

IUPACN-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCCCn2ccnc2)CC1
InChIInChI=1S/C12H22N4O2S/c1-19(17,18)16-8-3-12(4-9-16)14-5-2-7-15-10-6-13-11-15/h6,10-12,14H,2-5,7-9H2,1H3
InChIKeyAALNEJIRCSKFKD-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.29
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine

N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 61494543) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID61494543
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCCCn2ccnc2)CC1
InChIInChI=1S/C12H22N4O2S/c1-19(17,18)16-8-3-12(4-9-16)14-5-2-7-15-10-6-13-11-15/h6,10-12,14H,2-5,7-9H2,1H3
InChIKeyAALNEJIRCSKFKD-UHFFFAOYSA-N
XLogP0.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
N-(3-imidazol-1-ylpropyl)-1-[(1S,3R)-3-methylcyclohexyl]piperidin-4-amine
CID 97228938
N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine
CID 97228940
4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine
CID 95982272
N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046461
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973
N-(4-imidazol-1-ylbutyl)-1-propan-2-ylazepan-4-amine
CID 65073591
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 94049873
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
CID 60664484
(3S)-N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 27026398
N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
CID 65083611

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine (CID 61494543) is N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine is CS(=O)(=O)N1CCC(NCCCn2ccnc2)CC1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is AALNEJIRCSKFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-19(17,18)16-8-3-12(4-9-16)14-5-2-7-15-10-6-13-11-15/h6,10-12,14H,2-5,7-9H2,1H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine?
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 286.40 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 61494543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).