1-(3-methylbutylsulfonyl)piperidine

C10H21NO2S — CID 58689013

IUPAC1-(3-methylbutylsulfonyl)piperidine
SMILESCC(C)CCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H21NO2S/c1-10(2)6-9-14(12,13)11-7-4-3-5-8-11/h10H,3-9H2,1-2H3
InChIKeyXNDJMIZBPWCMBN-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.85
Rot. Bonds4

About 1-(3-methylbutylsulfonyl)piperidine

1-(3-methylbutylsulfonyl)piperidine (PubChem CID 58689013) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-(3-methylbutylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(3-methylbutylsulfonyl)piperidine
PubChem CID58689013
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-(3-methylbutylsulfonyl)piperidine
SMILESCC(C)CCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H21NO2S/c1-10(2)6-9-14(12,13)11-7-4-3-5-8-11/h10H,3-9H2,1-2H3
InChIKeyXNDJMIZBPWCMBN-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutylsulfonyl)piperidin-4-amine
CID 63834728
1-[1-(3-methylbutylsulfonyl)piperidin-4-yl]ethanone
CID 63846086
1-(3-methylbutylsulfonyl)piperidin-3-ol
CID 63856067
N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine
CID 63856793
3-[4-(3-methylbutylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63832630
1-(2-propan-2-yloxyethylsulfonyl)azepane
CID 79229911
[1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol
CID 63856417
1-(2-bromoethyl)-4-(3-methylbutylsulfonyl)piperazine
CID 80677198
1-(2-methylsulfonylethylsulfonyl)azepane
CID 64592112
methyl (3S)-1-(3-methylbutylsulfonyl)piperidine-3-carboxylate
CID 79032932
1-(3-methylbutylsulfonyl)azetidin-3-ol
CID 63857866
1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine
CID 4599987

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylsulfonyl)piperidine?
The IUPAC name of 1-(3-methylbutylsulfonyl)piperidine (CID 58689013) is 1-(3-methylbutylsulfonyl)piperidine.
What is the SMILES notation for 1-(3-methylbutylsulfonyl)piperidine?
The canonical SMILES for 1-(3-methylbutylsulfonyl)piperidine is CC(C)CCS(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(3-methylbutylsulfonyl)piperidine?
The InChIKey is XNDJMIZBPWCMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2)6-9-14(12,13)11-7-4-3-5-8-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(3-methylbutylsulfonyl)piperidine?
1-(3-methylbutylsulfonyl)piperidine has a molecular weight of 219.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylsulfonyl)piperidine is sourced from PubChem (CID 58689013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).