Ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate

Name: Ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₉NO₂S — CID 63920831

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate

SMILESCCOC(=O)C(CSC1CCCCC1)(NC1CC1)C1CC1

InChIInChI=1S/C17H29NO2S/c1-2-20-16(19)17(13-8-9-13,18-14-10-11-14)12-21-15-6-4-3-5-7-15/h13-15,18H,2-12H2,1H3

InChIKeyVUIIPNUBRAWUQR-UHFFFAOYSA-N

MW311.49 g/mol

LogP3.52

Rot. Bonds8

About Ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate

Ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate (PubChem CID 63920831) has the molecular formula C₁₇H₂₉NO₂S and a molecular weight of 311.49 g/mol. Its IUPAC name is ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate.

Molecular Properties

Compound Name	Ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate
PubChem CID	63920831
Molecular Formula	C₁₇H₂₉NO₂S
Molecular Weight	311.49 g/mol
Exact Mass	311.19
IUPAC Name	ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate
SMILES	CCOC(=O)C(CSC1CCCCC1)(NC1CC1)C1CC1
InChI	InChI=1S/C17H29NO2S/c1-2-20-16(19)17(13-8-9-13,18-14-10-11-14)12-21-15-6-4-3-5-7-15/h13-15,18H,2-12H2,1H3
InChIKey	VUIIPNUBRAWUQR-UHFFFAOYSA-N
XLogP	3.52
TPSA	38.33 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.49
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate?

The IUPAC name of Ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate (CID 63920831) is ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate.

What is the SMILES notation for Ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate?

The canonical SMILES for Ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate is CCOC(=O)C(CSC1CCCCC1)(NC1CC1)C1CC1.

What is the InChIKey of Ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate?

The InChIKey is VUIIPNUBRAWUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-2-20-16(19)17(13-8-9-13,18-14-10-11-14)12-21-15-6-4-3-5-7-15/h13-15,18H,2-12H2,1H3.

What are the key properties of Ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate?

Ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate has a molecular weight of 311.49 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate is sourced from PubChem (CID 63920831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 63920831 — identifiers, structure, computed properties (public domain)

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