4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide

C15H25N3O3S2 — CID 20630708

IUPAC4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCc1csc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C15H25N3O3S2/c1-10-9-22-14(16-10)17-13(19)11-5-7-12(8-6-11)18-23(20,21)15(2,3)4/h9,11-12,18H,5-8H2,1-4H3,(H,16,17,19)
InChIKeyCSJTZTPGWQOLTM-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.67
Rot. Bonds4

About 4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide

4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 20630708) has the molecular formula C15H25N3O3S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID20630708
Molecular FormulaC15H25N3O3S2
Molecular Weight359.52 g/mol
Exact Mass359.13
IUPAC Name4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCc1csc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C15H25N3O3S2/c1-10-9-22-14(16-10)17-13(19)11-5-7-12(8-6-11)18-23(20,21)15(2,3)4/h9,11-12,18H,5-8H2,1-4H3,(H,16,17,19)
InChIKeyCSJTZTPGWQOLTM-UHFFFAOYSA-N
XLogP2.67
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965
tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 47016276
4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361667
N-(4-acetylphenyl)-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20630370
4-(tert-butylsulfonylamino)-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 20629671
4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide
CID 20629063
4-(tert-butylsulfonylamino)-N-[2-(4-hydroxythiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 20629459
N-anthracen-1-yl-4-(tert-butylsulfonylamino)cyclohexane-1-carboxamide
CID 20629356
5-(cyclopropylsulfamoyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 35804827
2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 71788416
2-amino-2-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 60867878

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide (CID 20630708) is 4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide is Cc1csc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)n1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is CSJTZTPGWQOLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S2/c1-10-9-22-14(16-10)17-13(19)11-5-7-12(8-6-11)18-23(20,21)15(2,3)4/h9,11-12,18H,5-8H2,1-4H3,(H,16,17,19).
What are the key properties of 4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 20630708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).