1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide

C16H27NO3S2 — CID 89286143

IUPAC1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide
SMILESC=C(C)SCCNC(=O)C1(S(=O)(=O)C2CCCCC2)CCC1
InChIInChI=1S/C16H27NO3S2/c1-13(2)21-12-11-17-15(18)16(9-6-10-16)22(19,20)14-7-4-3-5-8-14/h14H,1,3-12H2,2H3,(H,17,18)
InChIKeyLRGDGNKWRSKLQP-UHFFFAOYSA-N
MW345.53 g/mol
LogP3.04
Rot. Bonds7

About 1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide

1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide (PubChem CID 89286143) has the molecular formula C16H27NO3S2 and a molecular weight of 345.53 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide
PubChem CID89286143
Molecular FormulaC16H27NO3S2
Molecular Weight345.53 g/mol
Exact Mass345.14
IUPAC Name1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide
SMILESC=C(C)SCCNC(=O)C1(S(=O)(=O)C2CCCCC2)CCC1
InChIInChI=1S/C16H27NO3S2/c1-13(2)21-12-11-17-15(18)16(9-6-10-16)22(19,20)14-7-4-3-5-8-14/h14H,1,3-12H2,2H3,(H,17,18)
InChIKeyLRGDGNKWRSKLQP-UHFFFAOYSA-N
XLogP3.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide (CID 89286143) is 1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide is C=C(C)SCCNC(=O)C1(S(=O)(=O)C2CCCCC2)CCC1.
What is the InChIKey of 1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide?
The InChIKey is LRGDGNKWRSKLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S2/c1-13(2)21-12-11-17-15(18)16(9-6-10-16)22(19,20)14-7-4-3-5-8-14/h14H,1,3-12H2,2H3,(H,17,18).
What are the key properties of 1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide?
1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide has a molecular weight of 345.53 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-N-(2-prop-1-en-2-ylsulfanylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 89286143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).