3-ethyl-1-propan-2-ylsulfonylpiperidine

C10H21NO2S — CID 59266027

IUPAC3-ethyl-1-propan-2-ylsulfonylpiperidine
SMILESCCC1CCCN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C10H21NO2S/c1-4-10-6-5-7-11(8-10)14(12,13)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyVIFGAFKPNWDATP-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.85
Rot. Bonds3

About 3-ethyl-1-propan-2-ylsulfonylpiperidine

3-ethyl-1-propan-2-ylsulfonylpiperidine (PubChem CID 59266027) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name3-ethyl-1-propan-2-ylsulfonylpiperidine
PubChem CID59266027
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-ethyl-1-propan-2-ylsulfonylpiperidine
SMILESCCC1CCCN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C10H21NO2S/c1-4-10-6-5-7-11(8-10)14(12,13)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyVIFGAFKPNWDATP-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-(bromomethylsulfonyl)-3-ethylpiperidine
CID 83093383
(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62064103
4-propan-2-ylsulfonyl-2-[2-[3-(2-pyrrolidin-1-ylsulfonylpropyl)piperidin-1-yl]sulfonylpropyl]morpholine
CID 138659083
methyl (3S)-1-propan-2-ylsulfonylpiperidine-3-carboxylate
CID 79032500
3-[[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methyl]pyridine
CID 95845766
2-ethyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonane
CID 175627410
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propanoic acid
CID 68533815
3-[[4-(1-bromoethyl)piperidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 106838284
3-[[4-(1-chloroethyl)piperidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 106838056
(2S)-2-amino-1-[(2S,4S)-2-amino-4-fluoropyrrolidin-1-yl]-3-(1-propan-2-ylsulfonylpiperidin-3-yl)propan-1-one
CID 71153686
(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine
CID 177325459
1-(cyclopropylmethyl)-4-propan-2-ylsulfonyl-1,4-diazepane
CID 95751499

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-ylsulfonylpiperidine?
The IUPAC name of 3-ethyl-1-propan-2-ylsulfonylpiperidine (CID 59266027) is 3-ethyl-1-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for 3-ethyl-1-propan-2-ylsulfonylpiperidine?
The canonical SMILES for 3-ethyl-1-propan-2-ylsulfonylpiperidine is CCC1CCCN(S(=O)(=O)C(C)C)C1.
What is the InChIKey of 3-ethyl-1-propan-2-ylsulfonylpiperidine?
The InChIKey is VIFGAFKPNWDATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-10-6-5-7-11(8-10)14(12,13)9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-1-propan-2-ylsulfonylpiperidine?
3-ethyl-1-propan-2-ylsulfonylpiperidine has a molecular weight of 219.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 59266027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).