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

C11H21N3O2S2 — CID 71986802

IUPACN-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCNC(C)(C)c1nc(C)cs1
InChIInChI=1S/C11H21N3O2S2/c1-9-8-17-10(14-9)11(2,3)13-6-5-7-18(15,16)12-4/h8,12-13H,5-7H2,1-4H3
InChIKeyNBIGXJLWGNXVFI-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.22
Rot. Bonds7

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

N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide (PubChem CID 71986802) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
PubChem CID71986802
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC NameN-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCNC(C)(C)c1nc(C)cs1
InChIInChI=1S/C11H21N3O2S2/c1-9-8-17-10(14-9)11(2,3)13-6-5-7-18(15,16)12-4/h8,12-13H,5-7H2,1-4H3
InChIKeyNBIGXJLWGNXVFI-UHFFFAOYSA-N
XLogP1.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.22
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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 3237999
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 3241103
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 47397823
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 53512876
1-methylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 53512877
N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]methanesulfonamide
CID 71869004
N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71986796
N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]ethanesulfonamide
CID 72114790
N-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 84590547
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
CID 53591315
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 71980322
N-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 71996871

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide?
The IUPAC name of N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide (CID 71986802) is N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide.
What is the SMILES notation for N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide?
The canonical SMILES for N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide is CNS(=O)(=O)CCCNC(C)(C)c1nc(C)cs1.
What is the InChIKey of N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide?
The InChIKey is NBIGXJLWGNXVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c1-9-8-17-10(14-9)11(2,3)13-6-5-7-18(15,16)12-4/h8,12-13H,5-7H2,1-4H3.
What are the key properties of N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide?
N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide has a molecular weight of 291.44 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide is sourced from PubChem (CID 71986802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).