N-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide

C13H23N3O3S2 — CID 103415145

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCCOC2CCC(N)CC2)s1
InChIInChI=1S/C13H23N3O3S2/c1-10-15-9-13(20-10)21(17,18)16-7-2-8-19-12-5-3-11(14)4-6-12/h9,11-12,16H,2-8,14H2,1H3
InChIKeyUKJLTMSZKVCIJC-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.41
Rot. Bonds7

About N-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide

N-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103415145) has the molecular formula C13H23N3O3S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103415145
Molecular FormulaC13H23N3O3S2
Molecular Weight333.48 g/mol
Exact Mass333.12
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCCCOC2CCC(N)CC2)s1
InChIInChI=1S/C13H23N3O3S2/c1-10-15-9-13(20-10)21(17,18)16-7-2-8-19-12-5-3-11(14)4-6-12/h9,11-12,16H,2-8,14H2,1H3
InChIKeyUKJLTMSZKVCIJC-UHFFFAOYSA-N
XLogP1.41
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(3-piperidin-4-yloxypropyl)-1,3-thiazole-5-sulfonamide
CID 103415141
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylpropane-2-sulfonamide
CID 63870336
N-[3-(4-aminocyclohexyl)oxypropyl]cyclopropanesulfonamide
CID 64553496
N-(2-aminocyclopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103951396
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 103862594
N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414719
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415967
N-(3-chlorobutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415939
2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120716098
N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide
CID 63869838
N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide
CID 63869663

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 103415145) is N-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCCCOC2CCC(N)CC2)s1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is UKJLTMSZKVCIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S2/c1-10-15-9-13(20-10)21(17,18)16-7-2-8-19-12-5-3-11(14)4-6-12/h9,11-12,16H,2-8,14H2,1H3.
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 333.48 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103415145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).