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

C18H31N3O2S2 — CID 51116249

IUPACN-[1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(Cc2csc(C3CCCCC3)n2)CC1
InChIInChI=1S/C18H31N3O2S2/c1-2-12-25(22,23)20-16-8-10-21(11-9-16)13-17-14-24-18(19-17)15-6-4-3-5-7-15/h14-16,20H,2-13H2,1H3
InChIKeyWJATVTSKAWDEGP-UHFFFAOYSA-N
MW385.60 g/mol
LogP3.48
Rot. Bonds7

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

N-[1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 51116249) has the molecular formula C18H31N3O2S2 and a molecular weight of 385.60 g/mol. Its IUPAC name is N-[1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID51116249
Molecular FormulaC18H31N3O2S2
Molecular Weight385.60 g/mol
Exact Mass385.19
IUPAC NameN-[1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(Cc2csc(C3CCCCC3)n2)CC1
InChIInChI=1S/C18H31N3O2S2/c1-2-12-25(22,23)20-16-8-10-21(11-9-16)13-17-14-24-18(19-17)15-6-4-3-5-7-15/h14-16,20H,2-13H2,1H3
InChIKeyWJATVTSKAWDEGP-UHFFFAOYSA-N
XLogP3.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide (CID 51116249) is N-[1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(Cc2csc(C3CCCCC3)n2)CC1.
What is the InChIKey of N-[1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is WJATVTSKAWDEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2S2/c1-2-12-25(22,23)20-16-8-10-21(11-9-16)13-17-14-24-18(19-17)15-6-4-3-5-7-15/h14-16,20H,2-13H2,1H3.
What are the key properties of N-[1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 385.60 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 51116249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).