N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide

C13H26N2O2S — CID 113487594

IUPACN-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCCCSC
InChIInChI=1S/C13H26N2O2S/c1-3-6-14-12-10-17-9-11(12)13(16)15-7-4-5-8-18-2/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyKYIUXBVDLWQVCS-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.26
Rot. Bonds9

About N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide

N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 113487594) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID113487594
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCCCSC
InChIInChI=1S/C13H26N2O2S/c1-3-6-14-12-10-17-9-11(12)13(16)15-7-4-5-8-18-2/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyKYIUXBVDLWQVCS-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide
CID 114127316
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
CID 66256152
N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256718
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255585
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481
4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66257134
N-(2-phenylsulfanylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255768
N-hexyl-4-(methylamino)oxolane-3-carboxamide
CID 66266175
N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide
CID 114154209
N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255397

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide (CID 113487594) is N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCCCCSC.
What is the InChIKey of N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is KYIUXBVDLWQVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-3-6-14-12-10-17-9-11(12)13(16)15-7-4-5-8-18-2/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide?
N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 274.43 g/mol, XLogP of 1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 113487594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).