N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide

C12H20N2O2S2 — CID 106013660

IUPACN-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)C2CCCNC2)s1
InChIInChI=1S/C12H20N2O2S2/c1-2-10-5-6-11(17-10)8-14-18(15,16)12-4-3-7-13-9-12/h5-6,12-14H,2-4,7-9H2,1H3
InChIKeyRJJJWKLTSNGQPI-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.48
Rot. Bonds5

About N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide

N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide (PubChem CID 106013660) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide
PubChem CID106013660
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)C2CCCNC2)s1
InChIInChI=1S/C12H20N2O2S2/c1-2-10-5-6-11(17-10)8-14-18(15,16)12-4-3-7-13-9-12/h5-6,12-14H,2-4,7-9H2,1H3
InChIKeyRJJJWKLTSNGQPI-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)piperidine-3-sulfonamide
CID 24690010
N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide
CID 106049253
N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-sulfonamide
CID 62307379
N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide
CID 114956767
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide
CID 106373826
N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide
CID 62989771
N-[(3-chloro-4-fluorophenyl)methyl]piperidine-3-sulfonamide
CID 62532599
N-(2-phenylpropyl)piperidine-3-sulfonamide
CID 104591796
1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one
CID 116564334
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide
CID 79242655
N-(3-methylbutyl)piperidine-3-sulfonamide
CID 24702359
N-[2-(dimethylamino)ethyl]piperidine-3-sulfonamide
CID 24699413

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide (CID 106013660) is N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide is CCc1ccc(CNS(=O)(=O)C2CCCNC2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide?
The InChIKey is RJJJWKLTSNGQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-2-10-5-6-11(17-10)8-14-18(15,16)12-4-3-7-13-9-12/h5-6,12-14H,2-4,7-9H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide?
N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 106013660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).