1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide

C14H25NO2S — CID 100710710

IUPAC1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide
SMILESCCOCC1(C(=O)N[C@H]2CCC[C@H](SC)C2)CC1
InChIInChI=1S/C14H25NO2S/c1-3-17-10-14(7-8-14)13(16)15-11-5-4-6-12(9-11)18-2/h11-12H,3-10H2,1-2H3,(H,15,16)/t11-,12-/m0/s1
InChIKeyJXTLMDJBMHKTAP-RYUDHWBXSA-N
MW271.43 g/mol
LogP2.59
Rot. Bonds6

About 1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide

1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide (PubChem CID 100710710) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide
PubChem CID100710710
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide
SMILESCCOCC1(C(=O)N[C@H]2CCC[C@H](SC)C2)CC1
InChIInChI=1S/C14H25NO2S/c1-3-17-10-14(7-8-14)13(16)15-11-5-4-6-12(9-11)18-2/h11-12H,3-10H2,1-2H3,(H,15,16)/t11-,12-/m0/s1
InChIKeyJXTLMDJBMHKTAP-RYUDHWBXSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide (CID 100710710) is 1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide is CCOCC1(C(=O)N[C@H]2CCC[C@H](SC)C2)CC1.
What is the InChIKey of 1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide?
The InChIKey is JXTLMDJBMHKTAP-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-3-17-10-14(7-8-14)13(16)15-11-5-4-6-12(9-11)18-2/h11-12H,3-10H2,1-2H3,(H,15,16)/t11-,12-/m0/s1.
What are the key properties of 1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide?
1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide has a molecular weight of 271.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-N-[(1S,3S)-3-methylsulfanylcyclohexyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 100710710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).