2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide

C11H17ClN2O2S2 — CID 61053573

IUPAC2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C11H17ClN2O2S2/c1-3-6-14(7-9-4-5-9)18(15,16)10-8(2)13-11(12)17-10/h9H,3-7H2,1-2H3
InChIKeyOSZBGLVRXBLVED-UHFFFAOYSA-N
MW308.86 g/mol
LogP2.92
Rot. Bonds6

About 2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide (PubChem CID 61053573) has the molecular formula C11H17ClN2O2S2 and a molecular weight of 308.86 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide
PubChem CID61053573
Molecular FormulaC11H17ClN2O2S2
Molecular Weight308.86 g/mol
Exact Mass308.04
IUPAC Name2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C11H17ClN2O2S2/c1-3-6-14(7-9-4-5-9)18(15,16)10-8(2)13-11(12)17-10/h9H,3-7H2,1-2H3
InChIKeyOSZBGLVRXBLVED-UHFFFAOYSA-N
XLogP2.92
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
CID 61046346
methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate
CID 61047061
2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61047405
2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63236535
2-chloro-N-cyclopropyl-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 43456224
2-chloro-N-cyclopropyl-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
CID 54979773
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61046493
N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
CID 3449691
2-chloro-N-ethyl-4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61052666
N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
CID 55353366
N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide
CID 47267555

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide (CID 61053573) is 2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide is CCCN(CC1CC1)S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide?
The InChIKey is OSZBGLVRXBLVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S2/c1-3-6-14(7-9-4-5-9)18(15,16)10-8(2)13-11(12)17-10/h9H,3-7H2,1-2H3.
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide has a molecular weight of 308.86 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61053573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).