3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide

C14H28N2O2S — CID 102884232

IUPAC3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(CCN1CCS(=O)(=O)CC1C)C1CCCNC1
InChIInChI=1S/C14H28N2O2S/c1-12(14-4-3-6-15-10-14)5-7-16-8-9-19(17,18)11-13(16)2/h12-15H,3-11H2,1-2H3
InChIKeyWBMRWOZBCZHFAH-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.13
Rot. Bonds4

About 3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide

3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 102884232) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide
PubChem CID102884232
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(CCN1CCS(=O)(=O)CC1C)C1CCCNC1
InChIInChI=1S/C14H28N2O2S/c1-12(14-4-3-6-15-10-14)5-7-16-8-9-19(17,18)11-13(16)2/h12-15H,3-11H2,1-2H3
InChIKeyWBMRWOZBCZHFAH-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749743
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
CID 81044402
3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane
CID 81047442
3-methyl-4-piperidin-3-ylsulfonyl-1,4-thiazinane 1,1-dioxide
CID 102884508
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanenitrile
CID 102886083
N-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentanamine
CID 102884254
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
N-(1,1-dioxothiolan-3-yl)-3-piperidin-3-yl-N-propylbutanamide
CID 119683492
1-(3-piperidin-3-ylbutyl)-4-(trifluoromethyl)piperidine
CID 81045481

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide (CID 102884232) is 3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide is CC(CCN1CCS(=O)(=O)CC1C)C1CCCNC1.
What is the InChIKey of 3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is WBMRWOZBCZHFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12(14-4-3-6-15-10-14)5-7-16-8-9-19(17,18)11-13(16)2/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide?
3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 288.46 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102884232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).