N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide

C11H22N2O2S — CID 119407916

IUPACN-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
SMILESNCCCNC(=O)CSCC1CCCCO1
InChIInChI=1S/C11H22N2O2S/c12-5-3-6-13-11(14)9-16-8-10-4-1-2-7-15-10/h10H,1-9,12H2,(H,13,14)
InChIKeySQFXVPSBDLZFGB-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.75
Rot. Bonds7

About N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide

N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide (PubChem CID 119407916) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
PubChem CID119407916
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
SMILESNCCCNC(=O)CSCC1CCCCO1
InChIInChI=1S/C11H22N2O2S/c12-5-3-6-13-11(14)9-16-8-10-4-1-2-7-15-10/h10H,1-9,12H2,(H,13,14)
InChIKeySQFXVPSBDLZFGB-UHFFFAOYSA-N
XLogP0.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.75
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)-2-(oxolan-2-ylmethylsulfanyl)acetamide
CID 103799843
2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 119350079
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
N-[2-(cycloheptylamino)ethyl]-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119620861
N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119642821
N-[2-(aminomethyl)cyclohexyl]-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119611650
2-(oxan-2-ylmethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513465
2-(oxan-2-ylmethylsulfanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453049
N-(2-aminoethyl)-1-[2-(oxan-2-ylmethylsulfanyl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119481570
N-(2-methylpiperidin-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 120599932
2-(oxan-2-yl)-N-pentylacetamide
CID 110415818
1-[2-(aminomethyl)piperidin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride
CID 119468814

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide (CID 119407916) is N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide is NCCCNC(=O)CSCC1CCCCO1.
What is the InChIKey of N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
The InChIKey is SQFXVPSBDLZFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c12-5-3-6-13-11(14)9-16-8-10-4-1-2-7-15-10/h10H,1-9,12H2,(H,13,14).
What are the key properties of N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide has a molecular weight of 246.38 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 119407916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).