4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide

C16H24N2O3S2 — CID 70745652

IUPAC4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESCc1cccc(SC2CCN(C(=O)CCCS(N)(=O)=O)CC2)c1
InChIInChI=1S/C16H24N2O3S2/c1-13-4-2-5-15(12-13)22-14-7-9-18(10-8-14)16(19)6-3-11-23(17,20)21/h2,4-5,12,14H,3,6-11H2,1H3,(H2,17,20,21)
InChIKeyDIUGDXRSXPCCTN-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.15
Rot. Bonds6

About 4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide

4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide (PubChem CID 70745652) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide.

Molecular Properties

Compound Name4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide
PubChem CID70745652
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC Name4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESCc1cccc(SC2CCN(C(=O)CCCS(N)(=O)=O)CC2)c1
InChIInChI=1S/C16H24N2O3S2/c1-13-4-2-5-15(12-13)22-14-7-9-18(10-8-14)16(19)6-3-11-23(17,20)21/h2,4-5,12,14H,3,6-11H2,1H3,(H2,17,20,21)
InChIKeyDIUGDXRSXPCCTN-UHFFFAOYSA-N
XLogP2.15
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118787851
1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one
CID 70716112
1-methyl-4-(3-methylphenyl)sulfanylpiperidine
CID 142206872
[(4S)-4-amino-5-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-5-oxopentyl]urea;hydrochloride
CID 154896418
4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 70735264
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(3-methylphenyl)sulfanylpiperidine-1-carboxamide
CID 119063341
[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 70776396
4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid
CID 77096850
1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone
CID 70771975
1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
CID 119374179
6-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 74244352
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone
CID 72904763

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide?
The IUPAC name of 4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide (CID 70745652) is 4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide.
What is the SMILES notation for 4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide?
The canonical SMILES for 4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide is Cc1cccc(SC2CCN(C(=O)CCCS(N)(=O)=O)CC2)c1.
What is the InChIKey of 4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide?
The InChIKey is DIUGDXRSXPCCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c1-13-4-2-5-15(12-13)22-14-7-9-18(10-8-14)16(19)6-3-11-23(17,20)21/h2,4-5,12,14H,3,6-11H2,1H3,(H2,17,20,21).
What are the key properties of 4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide?
4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide has a molecular weight of 356.51 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide is sourced from PubChem (CID 70745652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).