N-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide

C11H21N3O2S2 — CID 55012368

IUPACN-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)N(C)Cc1cscn1
InChIInChI=1S/C11H21N3O2S2/c1-10(2)12-5-4-6-18(15,16)14(3)7-11-8-17-9-13-11/h8-10,12H,4-7H2,1-3H3
InChIKeyDAZISVDMJJRNEK-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.29
Rot. Bonds8

About N-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide

N-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide (PubChem CID 55012368) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide
PubChem CID55012368
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC NameN-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide
SMILESCC(C)NCCCS(=O)(=O)N(C)Cc1cscn1
InChIInChI=1S/C11H21N3O2S2/c1-10(2)12-5-4-6-18(15,16)14(3)7-11-8-17-9-13-11/h8-10,12H,4-7H2,1-3H3
InChIKeyDAZISVDMJJRNEK-UHFFFAOYSA-N
XLogP1.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide?
The IUPAC name of N-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide (CID 55012368) is N-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for N-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for N-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide is CC(C)NCCCS(=O)(=O)N(C)Cc1cscn1.
What is the InChIKey of N-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide?
The InChIKey is DAZISVDMJJRNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c1-10(2)12-5-4-6-18(15,16)14(3)7-11-8-17-9-13-11/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide?
N-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide has a molecular weight of 291.44 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(propan-2-ylamino)-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 55012368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).