2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide

C14H29N3O2S2 — CID 106072179

IUPAC2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)NCC1CCCCS1
InChIInChI=1S/C14H29N3O2S2/c1-2-15-11-13-7-3-5-9-17(13)21(18,19)16-12-14-8-4-6-10-20-14/h13-16H,2-12H2,1H3
InChIKeyNDVNPYHQFPZZKS-UHFFFAOYSA-N
MW335.54 g/mol
LogP1.57
Rot. Bonds7

About 2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide

2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106072179) has the molecular formula C14H29N3O2S2 and a molecular weight of 335.54 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
PubChem CID106072179
Molecular FormulaC14H29N3O2S2
Molecular Weight335.54 g/mol
Exact Mass335.17
IUPAC Name2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)NCC1CCCCS1
InChIInChI=1S/C14H29N3O2S2/c1-2-15-11-13-7-3-5-9-17(13)21(18,19)16-12-14-8-4-6-10-20-14/h13-16H,2-12H2,1H3
InChIKeyNDVNPYHQFPZZKS-UHFFFAOYSA-N
XLogP1.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072219
N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
CID 63877744
2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078074
2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 106046357
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)piperidin-2-yl]methyl]ethanamine
CID 115562927
2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089752
N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409161
N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106027123
2-(ethylaminomethyl)-N-(1,2-oxazol-3-ylmethyl)piperidine-1-sulfonamide
CID 81174553
2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106091710
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide
CID 106068725
N-[[1-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)piperidin-2-yl]methyl]ethanamine
CID 114414172

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide (CID 106072179) is 2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide is CCNCC1CCCCN1S(=O)(=O)NCC1CCCCS1.
What is the InChIKey of 2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is NDVNPYHQFPZZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S2/c1-2-15-11-13-7-3-5-9-17(13)21(18,19)16-12-14-8-4-6-10-20-14/h13-16H,2-12H2,1H3.
What are the key properties of 2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide?
2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 335.54 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106072179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).