N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide

C15H27N5O3S — CID 91920924

IUPACN-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide
SMILESCCn1cc(S(=O)(=O)N2CC[C@H](CNC(C)=O)[C@H](N(C)C)C2)cn1
InChIInChI=1S/C15H27N5O3S/c1-5-19-10-14(9-17-19)24(22,23)20-7-6-13(8-16-12(2)21)15(11-20)18(3)4/h9-10,13,15H,5-8,11H2,1-4H3,(H,16,21)/t13-,15-/m1/s1
InChIKeyHCEVCMGSWLEWTO-UKRRQHHQSA-N
MW357.48 g/mol
LogP-0.02
Rot. Bonds6

About N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide

N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide (PubChem CID 91920924) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide
PubChem CID91920924
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC NameN-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide
SMILESCCn1cc(S(=O)(=O)N2CC[C@H](CNC(C)=O)[C@H](N(C)C)C2)cn1
InChIInChI=1S/C15H27N5O3S/c1-5-19-10-14(9-17-19)24(22,23)20-7-6-13(8-16-12(2)21)15(11-20)18(3)4/h9-10,13,15H,5-8,11H2,1-4H3,(H,16,21)/t13-,15-/m1/s1
InChIKeyHCEVCMGSWLEWTO-UKRRQHHQSA-N
XLogP-0.02
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R*,4S*)-4-propyl-1-[(1-propyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 72874326
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
CID 25247408
1-((1-methyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine hydrochloride
CID 53536972
N-[3-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 53566932
N-cyclopropyl-N-(3-methylbutyl)-3-(4-sulfamoylpyrazol-1-yl)propanamide
CID 53576682
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide
CID 56894259
methyl 4-[(1-methyl-1H-pyrazole-4-sulfonamido)methyl]piperidine-1-carboxylate
CID 71806813
N-[(3R*,4S*)-1-acetyl-4-cyclopropyl-3-pyrrolidinyl]-1-propyl-1H-pyrazole-4-sulfonamide
CID 72851250
2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide
CID 72940236
Rel-(9AR,13AS)-1-[(1-ethyl-1H-pyrazol-4-YL)sulfonyl]tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201266
(1S,11R)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199350
N-(1-cycloheptyl-3-piperidinyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 56896207

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide (CID 91920924) is N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide is CCn1cc(S(=O)(=O)N2CC[C@H](CNC(C)=O)[C@H](N(C)C)C2)cn1.
What is the InChIKey of N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide?
The InChIKey is HCEVCMGSWLEWTO-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-5-19-10-14(9-17-19)24(22,23)20-7-6-13(8-16-12(2)21)15(11-20)18(3)4/h9-10,13,15H,5-8,11H2,1-4H3,(H,16,21)/t13-,15-/m1/s1.
What are the key properties of N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide?
N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide has a molecular weight of 357.48 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 91920924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).