N-methyl-3-pentylsulfinyloxan-4-amine

C11H23NO2S — CID 107759006

IUPACN-methyl-3-pentylsulfinyloxan-4-amine
SMILESCCCCCS(=O)C1COCCC1NC
InChIInChI=1S/C11H23NO2S/c1-3-4-5-8-15(13)11-9-14-7-6-10(11)12-2/h10-12H,3-9H2,1-2H3
InChIKeyKTISOGJERGIHNA-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.30
Rot. Bonds6

About N-methyl-3-pentylsulfinyloxan-4-amine

N-methyl-3-pentylsulfinyloxan-4-amine (PubChem CID 107759006) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-methyl-3-pentylsulfinyloxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-pentylsulfinyloxan-4-amine
PubChem CID107759006
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-methyl-3-pentylsulfinyloxan-4-amine
SMILESCCCCCS(=O)C1COCCC1NC
InChIInChI=1S/C11H23NO2S/c1-3-4-5-8-15(13)11-9-14-7-6-10(11)12-2/h10-12H,3-9H2,1-2H3
InChIKeyKTISOGJERGIHNA-UHFFFAOYSA-N
XLogP1.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]thian-4-amine
CID 116145507
N-ethyl-3-methylsulfanyloxan-4-amine
CID 64626479
1,1-dioxo-N-propan-2-ylthian-4-amine;N-propan-2-yloxan-4-amine
CID 164137056
N-tert-butyl-3-methylsulfanyloxan-4-amine
CID 166770556
N-(3-ethoxypropyl)thian-4-amine
CID 43394857
N-[3-(2-methoxyethoxy)propyl]thian-4-amine
CID 43394943
N-(3-ethoxypropyl)-1,1-dioxothian-4-amine
CID 43511558
N-(3-methoxypropyl)-1,1-dioxothian-4-amine
CID 43511645
N-[3-(2-methylpropoxy)propyl]-1,1-dioxothian-4-amine
CID 43511660
N-[3-(2-methoxyethoxy)propyl]-1,1-dioxothian-4-amine
CID 43511682
1,1-dioxo-N-(3-propan-2-yloxypropyl)thian-4-amine
CID 43511688
(1,1-dioxidotetrahydro-3-thienyl)tetrahydro-2H-pyran-4-ylamine formate
CID 43608329

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pentylsulfinyloxan-4-amine?
The IUPAC name of N-methyl-3-pentylsulfinyloxan-4-amine (CID 107759006) is N-methyl-3-pentylsulfinyloxan-4-amine.
What is the SMILES notation for N-methyl-3-pentylsulfinyloxan-4-amine?
The canonical SMILES for N-methyl-3-pentylsulfinyloxan-4-amine is CCCCCS(=O)C1COCCC1NC.
What is the InChIKey of N-methyl-3-pentylsulfinyloxan-4-amine?
The InChIKey is KTISOGJERGIHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-4-5-8-15(13)11-9-14-7-6-10(11)12-2/h10-12H,3-9H2,1-2H3.
What are the key properties of N-methyl-3-pentylsulfinyloxan-4-amine?
N-methyl-3-pentylsulfinyloxan-4-amine has a molecular weight of 233.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pentylsulfinyloxan-4-amine is sourced from PubChem (CID 107759006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).