N-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C12H21NO2S — CID 107030024

IUPACN-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)NCC1CCOCC1
InChIInChI=1S/C12H21NO2S/c14-11(7-12(9-16)3-4-12)13-8-10-1-5-15-6-2-10/h10,16H,1-9H2,(H,13,14)
InChIKeyPHODRKCSHNRPCC-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.63
Rot. Bonds5

About N-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107030024) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107030024
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)NCC1CCOCC1
InChIInChI=1S/C12H21NO2S/c14-11(7-12(9-16)3-4-12)13-8-10-1-5-15-6-2-10/h10,16H,1-9H2,(H,13,14)
InChIKeyPHODRKCSHNRPCC-UHFFFAOYSA-N
XLogP1.63
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 106137808
2-[1-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]cyclopentyl]acetic acid
CID 61072039
4-methyl-N-(oxan-4-ylmethyl)oxane-4-carboxamide
CID 171672707
1-amino-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
CID 81168701
2-(cyclopentylamino)-N-(oxan-4-ylmethyl)acetamide
CID 63707149
1-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63706981
N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
CID 107032145
7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride
CID 119724916
N-(3,3-dimethylbutyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035900
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736373
N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021547
N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030496

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107030024) is N-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is O=C(CC1(CS)CC1)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is PHODRKCSHNRPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c14-11(7-12(9-16)3-4-12)13-8-10-1-5-15-6-2-10/h10,16H,1-9H2,(H,13,14).
What are the key properties of N-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 243.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107030024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).