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

C14H29N3O2S2 — CID 106072219

IUPAC3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)NCC2CCCCS2)C1
InChIInChI=1S/C14H29N3O2S2/c1-2-15-10-13-6-5-8-17(12-13)21(18,19)16-11-14-7-3-4-9-20-14/h13-16H,2-12H2,1H3
InChIKeyFBQASZIDZSRVFF-UHFFFAOYSA-N
MW335.54 g/mol
LogP1.43
Rot. Bonds7

About 3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide

3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106072219) has the molecular formula C14H29N3O2S2 and a molecular weight of 335.54 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
PubChem CID106072219
Molecular FormulaC14H29N3O2S2
Molecular Weight335.54 g/mol
Exact Mass335.17
IUPAC Name3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)NCC2CCCCS2)C1
InChIInChI=1S/C14H29N3O2S2/c1-2-15-10-13-6-5-8-17(12-13)21(18,19)16-11-14-7-3-4-9-20-14/h13-16H,2-12H2,1H3
InChIKeyFBQASZIDZSRVFF-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
CID 106071762
3-(aminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
CID 114141669
2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072179
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106016707
3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106383946
N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106067763
N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 63880145
N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106063963
3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016068
N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106054302
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880149

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide (CID 106072219) is 3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide is CCNCC1CCCN(S(=O)(=O)NCC2CCCCS2)C1.
What is the InChIKey of 3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is FBQASZIDZSRVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S2/c1-2-15-10-13-6-5-8-17(12-13)21(18,19)16-11-14-7-3-4-9-20-14/h13-16H,2-12H2,1H3.
What are the key properties of 3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide?
3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 335.54 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106072219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).