N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide

C12H17N3O2S2 — CID 7062731

IUPACN,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESC[C@@H]1CN=C(Nc2cccc(S(=O)(=O)N(C)C)c2)S1
InChIInChI=1S/C12H17N3O2S2/c1-9-8-13-12(18-9)14-10-5-4-6-11(7-10)19(16,17)15(2)3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyLMYFRCQGICGKPW-SECBINFHSA-N
MW299.42 g/mol
LogP1.84
Rot. Bonds3

About N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide

N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 7062731) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID7062731
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESC[C@@H]1CN=C(Nc2cccc(S(=O)(=O)N(C)C)c2)S1
InChIInChI=1S/C12H17N3O2S2/c1-9-8-13-12(18-9)14-10-5-4-6-11(7-10)19(16,17)15(2)3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyLMYFRCQGICGKPW-SECBINFHSA-N
XLogP1.84
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 3529995
3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43715534
N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
CID 43715600
trans-(1S,2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 9093768
6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 42924442
N,N-dimethyl-3-[(4-methylpyrimidin-2-yl)amino]benzenesulfonamide
CID 123424384
3-[[6-(3-ethylsulfonylanilino)pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 159405176
N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide
CID 103561319
N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide
CID 54906646
N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385642
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide
CID 63000001

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 7062731) is N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide is C[C@@H]1CN=C(Nc2cccc(S(=O)(=O)N(C)C)c2)S1.
What is the InChIKey of N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is LMYFRCQGICGKPW-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-9-8-13-12(18-9)14-10-5-4-6-11(7-10)19(16,17)15(2)3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m1/s1.
What are the key properties of N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide?
N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 299.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 7062731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).