N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine

C12H26N2O2S — CID 81302082

IUPACN-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
SMILESCC(C)CCCNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)5-4-8-13-12-6-9-14(10-7-12)17(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyBUBHRTPHEDWFND-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.44
Rot. Bonds6

About N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine

N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 81302082) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID81302082
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
SMILESCC(C)CCCNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)5-4-8-13-12-6-9-14(10-7-12)17(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyBUBHRTPHEDWFND-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
1-methyl-N-(4-methylpentyl)piperidin-4-amine
CID 61043783
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
CID 114239295
N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine
CID 61043784
N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
CID 102673469
1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine
CID 63834582
N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine
CID 63004730
N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine
CID 114472064
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106017048
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
CID 113262654

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine (CID 81302082) is N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine is CC(C)CCCNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is BUBHRTPHEDWFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2)5-4-8-13-12-6-9-14(10-7-12)17(3,15)16/h11-13H,4-10H2,1-3H3.
What are the key properties of N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine?
N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 262.42 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 81302082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).