N-(1-propylsulfonylpiperidin-3-yl)acetamide

C10H20N2O3S — CID 61384209

IUPACN-(1-propylsulfonylpiperidin-3-yl)acetamide
SMILESCCCS(=O)(=O)N1CCCC(NC(C)=O)C1
InChIInChI=1S/C10H20N2O3S/c1-3-7-16(14,15)12-6-4-5-10(8-12)11-9(2)13/h10H,3-8H2,1-2H3,(H,11,13)
InChIKeyKWNQJVAFAMYZRL-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.33
Rot. Bonds4

About N-(1-propylsulfonylpiperidin-3-yl)acetamide

N-(1-propylsulfonylpiperidin-3-yl)acetamide (PubChem CID 61384209) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(1-propylsulfonylpiperidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-propylsulfonylpiperidin-3-yl)acetamide
PubChem CID61384209
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(1-propylsulfonylpiperidin-3-yl)acetamide
SMILESCCCS(=O)(=O)N1CCCC(NC(C)=O)C1
InChIInChI=1S/C10H20N2O3S/c1-3-7-16(14,15)12-6-4-5-10(8-12)11-9(2)13/h10H,3-8H2,1-2H3,(H,11,13)
InChIKeyKWNQJVAFAMYZRL-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide
CID 107652387
N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide
CID 97313143
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
2-methyl-N-[(3S)-1-[(2S)-2-methylpentyl]sulfonylpiperidin-3-yl]propanamide
CID 95626033
1-propylsulfonylpiperidin-3-amine;hydrochloride
CID 119959785
1-cycloheptyl-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86992837
1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47765815
cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
CID 55682841
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine
CID 63856793
1-[4-(1-propylsulfonylpyrrolidin-3-yl)piperidin-1-yl]ethanone
CID 91921325
1-[(3S)-1-propylsulfonylpiperidin-3-yl]azepane
CID 95342967

Frequently Asked Questions

What is the IUPAC name of N-(1-propylsulfonylpiperidin-3-yl)acetamide?
The IUPAC name of N-(1-propylsulfonylpiperidin-3-yl)acetamide (CID 61384209) is N-(1-propylsulfonylpiperidin-3-yl)acetamide.
What is the SMILES notation for N-(1-propylsulfonylpiperidin-3-yl)acetamide?
The canonical SMILES for N-(1-propylsulfonylpiperidin-3-yl)acetamide is CCCS(=O)(=O)N1CCCC(NC(C)=O)C1.
What is the InChIKey of N-(1-propylsulfonylpiperidin-3-yl)acetamide?
The InChIKey is KWNQJVAFAMYZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-3-7-16(14,15)12-6-4-5-10(8-12)11-9(2)13/h10H,3-8H2,1-2H3,(H,11,13).
What are the key properties of N-(1-propylsulfonylpiperidin-3-yl)acetamide?
N-(1-propylsulfonylpiperidin-3-yl)acetamide has a molecular weight of 248.35 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylsulfonylpiperidin-3-yl)acetamide is sourced from PubChem (CID 61384209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).