N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide

C14H26N2O3S2 — CID 78860890

IUPACN-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide
SMILESO=S(=O)(N1CCCCC1)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C14H26N2O3S2/c17-21(18,15-7-2-1-3-8-15)16(13-6-10-20-12-13)11-14-5-4-9-19-14/h13-14H,1-12H2
InChIKeyNQPMKULRCNCONS-UHFFFAOYSA-N
MW334.51 g/mol
LogP1.70
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide

N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide (PubChem CID 78860890) has the molecular formula C14H26N2O3S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide
PubChem CID78860890
Molecular FormulaC14H26N2O3S2
Molecular Weight334.51 g/mol
Exact Mass334.14
IUPAC NameN-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide
SMILESO=S(=O)(N1CCCCC1)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C14H26N2O3S2/c17-21(18,15-7-2-1-3-8-15)16(13-6-10-20-12-13)11-14-5-4-9-19-14/h13-14H,1-12H2
InChIKeyNQPMKULRCNCONS-UHFFFAOYSA-N
XLogP1.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide
CID 86931217
3-chloro-2-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propane-1-sulfonamide
CID 79585920
1-methylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-3-carboxamide
CID 55613299
1-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)pyrazole-4-sulfonamide
CID 87032485
2-amino-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 60944233
1-(4-acetylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide
CID 55613338
N-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynyl-N-[(3R)-thiolan-3-yl]piperidine-4-carboxamide
CID 95764870
1-(4-methylpiperidin-1-yl)-2-[[(2S)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]amino]ethanone
CID 97328408
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
CID 61163740
2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide
CID 62638054
5-chloro-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625955
3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
CID 62838859

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide (CID 78860890) is N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide is O=S(=O)(N1CCCCC1)N(CC1CCCO1)C1CCSC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide?
The InChIKey is NQPMKULRCNCONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S2/c17-21(18,15-7-2-1-3-8-15)16(13-6-10-20-12-13)11-14-5-4-9-19-14/h13-14H,1-12H2.
What are the key properties of N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide?
N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide has a molecular weight of 334.51 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 78860890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).