1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine

C12H17ClN2O4S2 — CID 107091277

IUPAC1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1Cl
InChIInChI=1S/C12H17ClN2O4S2/c1-14-9-10-2-3-11(8-12(10)13)21(18,19)15-4-6-20(16,17)7-5-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeyQLVYGNQAJCCMCU-UHFFFAOYSA-N
MW352.87 g/mol
LogP0.48
Rot. Bonds4

About 1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine

1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine (PubChem CID 107091277) has the molecular formula C12H17ClN2O4S2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine
PubChem CID107091277
Molecular FormulaC12H17ClN2O4S2
Molecular Weight352.87 g/mol
Exact Mass352.03
IUPAC Name1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1Cl
InChIInChI=1S/C12H17ClN2O4S2/c1-14-9-10-2-3-11(8-12(10)13)21(18,19)15-4-6-20(16,17)7-5-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeyQLVYGNQAJCCMCU-UHFFFAOYSA-N
XLogP0.48
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine with MolForge

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Related Compounds

1-[2-chloro-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 106317216
4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721471
3-chloro-4-(methylaminomethyl)benzenesulfonamide
CID 107091359
3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine
CID 64602625
N-[(2-chloro-4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
CID 107091138
1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 107091546
N-[(2-chloro-4-piperidin-1-ylsulfonylphenyl)methyl]cyclopropanamine
CID 107091179
1-[2-chloro-5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)phenyl]-N-methylmethanamine
CID 114414018
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 110721464
N-[[2-chloro-4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 107091372
3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 107091204
N-[[2-chloro-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methyl]ethanamine
CID 107091719

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine (CID 107091277) is 1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine is CNCc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine?
The InChIKey is QLVYGNQAJCCMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S2/c1-14-9-10-2-3-11(8-12(10)13)21(18,19)15-4-6-20(16,17)7-5-15/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of 1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine?
1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine has a molecular weight of 352.87 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 107091277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).