N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide

C12H26N2O2S — CID 59542595

IUPACN-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide
SMILESCC(C)C1CCN(CCCNS(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)12-5-9-14(10-6-12)8-4-7-13-17(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyTVNOURHLGIJSQB-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.29
Rot. Bonds6

About N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide

N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide (PubChem CID 59542595) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide
PubChem CID59542595
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide
SMILESCC(C)C1CCN(CCCNS(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(2)12-5-9-14(10-6-12)8-4-7-13-17(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyTVNOURHLGIJSQB-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
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-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352
1-decyl-4-propan-2-ylpiperidine
CID 166461232
2-(4-propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride
CID 138659398
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide
CID 103776667
N-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]methanesulfonamide
CID 86825544
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol
CID 103504387
1-(6-chlorohexyl)-4-propan-2-ylpiperidine
CID 103501532
N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]pentan-1-amine
CID 103503529
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide (CID 59542595) is N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide is CC(C)C1CCN(CCCNS(C)(=O)=O)CC1.
What is the InChIKey of N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide?
The InChIKey is TVNOURHLGIJSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(2)12-5-9-14(10-6-12)8-4-7-13-17(3,15)16/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide?
N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 59542595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).