N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide

C10H19NO2S — CID 107030121

IUPACN-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide
SMILESO=C(CCS)NCCOC1CCCC1
InChIInChI=1S/C10H19NO2S/c12-10(5-8-14)11-6-7-13-9-3-1-2-4-9/h9,14H,1-8H2,(H,11,12)
InChIKeyDVMYWQSBUSSTSE-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.38
Rot. Bonds6

About N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide

N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide (PubChem CID 107030121) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide
PubChem CID107030121
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide
SMILESO=C(CCS)NCCOC1CCCC1
InChIInChI=1S/C10H19NO2S/c12-10(5-8-14)11-6-7-13-9-3-1-2-4-9/h9,14H,1-8H2,(H,11,12)
InChIKeyDVMYWQSBUSSTSE-UHFFFAOYSA-N
XLogP1.38
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2-cyclopentyloxyethyl)butanamide
CID 63828950
N-(2-cyclohexyloxyethyl)-3-(cyclopropylamino)propanamide
CID 63827585
4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride
CID 119325380
ethyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate
CID 61150779
tert-butyl 4-(2-cyclopentyloxyethylamino)-4-oxobutanoate
CID 106707456
6-amino-N-(2-cyclopentyloxyethyl)-4,4-dimethylhexanamide
CID 65291239
2-cyano-N-(2-cyclohexyloxyethyl)acetamide
CID 63828131
N-(2-cyclohexyloxyethyl)-2-(cyclopropylmethylamino)acetamide
CID 63826704
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
N-(2-cyclohexyloxyethyl)-2-ethoxyacetamide
CID 61217692
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
3-amino-N-(2-cyclohexyloxyethyl)butanamide
CID 63828834

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide?
The IUPAC name of N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide (CID 107030121) is N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide is O=C(CCS)NCCOC1CCCC1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide?
The InChIKey is DVMYWQSBUSSTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-10(5-8-14)11-6-7-13-9-3-1-2-4-9/h9,14H,1-8H2,(H,11,12).
What are the key properties of N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide?
N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide has a molecular weight of 217.33 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107030121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).