N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide

C12H23NO3S — CID 103767595

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NCCSCCCO
InChIInChI=1S/C12H23NO3S/c14-7-2-9-17-10-6-13-12(15)5-4-11-3-1-8-16-11/h11,14H,1-10H2,(H,13,15)
InChIKeyLOJIUIGCCHOSSN-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.18
Rot. Bonds9

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide (PubChem CID 103767595) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide
PubChem CID103767595
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NCCSCCCO
InChIInChI=1S/C12H23NO3S/c14-7-2-9-17-10-6-13-12(15)5-4-11-3-1-8-16-11/h11,14H,1-10H2,(H,13,15)
InChIKeyLOJIUIGCCHOSSN-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.18
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

N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
2-[2-[3-(oxan-2-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119242572
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124572050
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide
CID 63953367
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
3-[2-(oxan-2-ylmethylamino)ethylsulfanyl]propan-1-ol
CID 106310371
N-(6-iodohexyl)-3-(oxan-2-yl)propanamide
CID 107848186
N-(5-chloropentyl)-3-(oxan-2-yl)propanamide
CID 107321014
N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide
CID 106386302

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide (CID 103767595) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)NCCSCCCO.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is LOJIUIGCCHOSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c14-7-2-9-17-10-6-13-12(15)5-4-11-3-1-8-16-11/h11,14H,1-10H2,(H,13,15).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 261.39 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 103767595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).