4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide

C8H16ClNO4S2 — CID 102887417

IUPAC4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)C(C)CCl
InChIInChI=1S/C8H16ClNO4S2/c1-7-6-15(11,12)4-3-10(7)16(13,14)8(2)5-9/h7-8H,3-6H2,1-2H3
InChIKeySUGDUARNVUFKGX-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.06
Rot. Bonds3

About 4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide

4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 102887417) has the molecular formula C8H16ClNO4S2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID102887417
Molecular FormulaC8H16ClNO4S2
Molecular Weight289.81 g/mol
Exact Mass289.02
IUPAC Name4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)C(C)CCl
InChIInChI=1S/C8H16ClNO4S2/c1-7-6-15(11,12)4-3-10(7)16(13,14)8(2)5-9/h7-8H,3-6H2,1-2H3
InChIKeySUGDUARNVUFKGX-UHFFFAOYSA-N
XLogP0.06
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine
CID 102883104
(3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide
CID 167985024
N-(3-chloropropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide
CID 102887444
1-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]ethanamine
CID 102884344
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol
CID 102887405
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130503167
3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 102884485
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
N-(3-hydroxypropyl)-N,3-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide
CID 102887387
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882868
3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine
CID 102884252
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonylmethyl]aniline
CID 102882331

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide (CID 102887417) is 4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1S(=O)(=O)C(C)CCl.
What is the InChIKey of 4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is SUGDUARNVUFKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO4S2/c1-7-6-15(11,12)4-3-10(7)16(13,14)8(2)5-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 289.81 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102887417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).