N-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide

C14H26N2OS — CID 87007330

IUPACN-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide
SMILESO=C(NCCC1CCCCC1)N1CCCSCC1
InChIInChI=1S/C14H26N2OS/c17-14(16-9-4-11-18-12-10-16)15-8-7-13-5-2-1-3-6-13/h13H,1-12H2,(H,15,17)
InChIKeyFGJAYILQLBPURH-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.11
Rot. Bonds3

About N-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide

N-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide (PubChem CID 87007330) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide
PubChem CID87007330
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide
SMILESO=C(NCCC1CCCCC1)N1CCCSCC1
InChIInChI=1S/C14H26N2OS/c17-14(16-9-4-11-18-12-10-16)15-8-7-13-5-2-1-3-6-13/h13H,1-12H2,(H,15,17)
InChIKeyFGJAYILQLBPURH-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide (CID 87007330) is N-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide is O=C(NCCC1CCCCC1)N1CCCSCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide?
The InChIKey is FGJAYILQLBPURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c17-14(16-9-4-11-18-12-10-16)15-8-7-13-5-2-1-3-6-13/h13H,1-12H2,(H,15,17).
What are the key properties of N-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide?
N-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide has a molecular weight of 270.44 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1,4-thiazepane-4-carboxamide is sourced from PubChem (CID 87007330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).