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

C11H22N2O4S2 — CID 102884485

IUPAC3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C11H22N2O4S2/c1-10-8-18(14,15)7-6-13(10)19(16,17)9-11-2-4-12-5-3-11/h10-12H,2-9H2,1H3
InChIKeyBDDJWHIRMTUWQT-UHFFFAOYSA-N
MW310.44 g/mol
LogP-0.57
Rot. Bonds3

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

3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 102884485) has the molecular formula C11H22N2O4S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide
PubChem CID102884485
Molecular FormulaC11H22N2O4S2
Molecular Weight310.44 g/mol
Exact Mass310.10
IUPAC Name3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C11H22N2O4S2/c1-10-8-18(14,15)7-6-13(10)19(16,17)9-11-2-4-12-5-3-11/h10-12H,2-9H2,1H3
InChIKeyBDDJWHIRMTUWQT-UHFFFAOYSA-N
XLogP-0.57
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide
CID 167985024
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)sulfonyl]butan-1-ol
CID 102887405
N-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butyl]cyclopropanamine
CID 102887483
(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride
CID 120717011
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonylmethyl]aniline
CID 102882331
3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine
CID 54972435
5-methyl-4-(piperidin-4-ylmethyl)-1,4-thiazepane 1,1-dioxide;hydrochloride
CID 120857963
4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102887417
1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319979
2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine
CID 102883104
1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine
CID 54973856

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide (CID 102884485) is 3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1S(=O)(=O)CC1CCNCC1.
What is the InChIKey of 3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is BDDJWHIRMTUWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S2/c1-10-8-18(14,15)7-6-13(10)19(16,17)9-11-2-4-12-5-3-11/h10-12H,2-9H2,1H3.
What are the key properties of 3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide?
3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 310.44 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102884485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).