N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide

C11H20N2O2S2 — CID 110440600

IUPACN-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc(C(C)C)cs1
InChIInChI=1S/C11H20N2O2S2/c1-4-5-6-17(14,15)12-7-11-13-10(8-16-11)9(2)3/h8-9,12H,4-7H2,1-3H3
InChIKeyNAZPOPKLZZTVEC-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.49
Rot. Bonds7

About N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide

N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide (PubChem CID 110440600) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
PubChem CID110440600
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc(C(C)C)cs1
InChIInChI=1S/C11H20N2O2S2/c1-4-5-6-17(14,15)12-7-11-13-10(8-16-11)9(2)3/h8-9,12H,4-7H2,1-3H3
InChIKeyNAZPOPKLZZTVEC-UHFFFAOYSA-N
XLogP2.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide (CID 110440600) is N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1nc(C(C)C)cs1.
What is the InChIKey of N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide?
The InChIKey is NAZPOPKLZZTVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-4-5-6-17(14,15)12-7-11-13-10(8-16-11)9(2)3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide?
N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide has a molecular weight of 276.43 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 110440600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).