4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

C11H13N3O2S3 — CID 106053658

IUPAC4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2nc(C3CC3)cs2)c1
InChIInChI=1S/C11H13N3O2S3/c12-4-7-3-10(17-5-7)19(15,16)14-11-13-9(6-18-11)8-1-2-8/h3,5-6,8H,1-2,4,12H2,(H,13,14)
InChIKeyBZDFOMCKFSSYRV-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.34
Rot. Bonds5

About 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 106053658) has the molecular formula C11H13N3O2S3 and a molecular weight of 315.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
PubChem CID106053658
Molecular FormulaC11H13N3O2S3
Molecular Weight315.45 g/mol
Exact Mass315.02
IUPAC Name4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2nc(C3CC3)cs2)c1
InChIInChI=1S/C11H13N3O2S3/c12-4-7-3-10(17-5-7)19(15,16)14-11-13-9(6-18-11)8-1-2-8/h3,5-6,8H,1-2,4,12H2,(H,13,14)
InChIKeyBZDFOMCKFSSYRV-UHFFFAOYSA-N
XLogP2.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide
CID 106053641
3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106053656
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 106053177
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-4-sulfonamide
CID 62158122
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 61480656
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide
CID 61479666
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327011
4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide
CID 106084527
2-amino-5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62158298
4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 114134463
4-amino-2-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479708
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide
CID 62157211

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (CID 106053658) is 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is NCc1csc(S(=O)(=O)Nc2nc(C3CC3)cs2)c1.
What is the InChIKey of 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is BZDFOMCKFSSYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S3/c12-4-7-3-10(17-5-7)19(15,16)14-11-13-9(6-18-11)8-1-2-8/h3,5-6,8H,1-2,4,12H2,(H,13,14).
What are the key properties of 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 315.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106053658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).