4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide

C10H19N3O2S2 — CID 106031673

IUPAC4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)Nc1nccs1
InChIInChI=1S/C10H19N3O2S2/c1-9(2)11-5-3-4-8-17(14,15)13-10-12-6-7-16-10/h6-7,9,11H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyXMLZQZKFNCONKG-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.66
Rot. Bonds8

About 4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide

4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide (PubChem CID 106031673) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
PubChem CID106031673
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC Name4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
SMILESCC(C)NCCCCS(=O)(=O)Nc1nccs1
InChIInChI=1S/C10H19N3O2S2/c1-9(2)11-5-3-4-8-17(14,15)13-10-12-6-7-16-10/h6-7,9,11H,3-5,8H2,1-2H3,(H,12,13)
InChIKeyXMLZQZKFNCONKG-UHFFFAOYSA-N
XLogP1.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
CID 116814761
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106082732
4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031784
N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106070211
1-[3-(propan-2-ylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031633
N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 20786153
2-hydroxy-N-(1,3-thiazol-2-yl)ethanesulfonamide
CID 79588617
N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824082
2-methyl-N-(1,3-thiazol-2-yl)prop-2-ene-1-sulfonamide
CID 91956225
N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106017911
4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106031631
2-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031780

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide?
The IUPAC name of 4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide (CID 106031673) is 4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide?
The canonical SMILES for 4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide is CC(C)NCCCCS(=O)(=O)Nc1nccs1.
What is the InChIKey of 4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide?
The InChIKey is XMLZQZKFNCONKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-9(2)11-5-3-4-8-17(14,15)13-10-12-6-7-16-10/h6-7,9,11H,3-5,8H2,1-2H3,(H,12,13).
What are the key properties of 4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide?
4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide has a molecular weight of 277.41 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 106031673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).