N-methyl-3-pentylsulfonyloxan-4-amine

C11H23NO3S — CID 107758700

IUPACN-methyl-3-pentylsulfonyloxan-4-amine
SMILESCCCCCS(=O)(=O)C1COCCC1NC
InChIInChI=1S/C11H23NO3S/c1-3-4-5-8-16(13,14)11-9-15-7-6-10(11)12-2/h10-12H,3-9H2,1-2H3
InChIKeyDWDGYSCYPKMTGG-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.97
Rot. Bonds6

About N-methyl-3-pentylsulfonyloxan-4-amine

N-methyl-3-pentylsulfonyloxan-4-amine (PubChem CID 107758700) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-methyl-3-pentylsulfonyloxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-pentylsulfonyloxan-4-amine
PubChem CID107758700
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-methyl-3-pentylsulfonyloxan-4-amine
SMILESCCCCCS(=O)(=O)C1COCCC1NC
InChIInChI=1S/C11H23NO3S/c1-3-4-5-8-16(13,14)11-9-15-7-6-10(11)12-2/h10-12H,3-9H2,1-2H3
InChIKeyDWDGYSCYPKMTGG-UHFFFAOYSA-N
XLogP0.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-2-pentylsulfonylcyclohexan-1-amine
CID 107758538
N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine
CID 107758549
N-cyclopropyl-2-[4-(methylamino)oxan-3-yl]sulfonylacetamide
CID 114232783
7-butylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64675340
N-methyl-3-pentylsulfinyloxan-4-amine
CID 107759006
N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
CID 64676036
pentylsulfonylcyclopropane
CID 165043967
methyl 2-[1-[[4-(methylamino)oxan-3-yl]sulfonylmethyl]cyclopropyl]acetate
CID 107778182
N-methyl-2-propylsulfonylcyclooctan-1-amine
CID 64644517
heptylsulfonylcyclooctane
CID 134525047
undecylsulfonylcyclohexane
CID 151596280
(2-pentylsulfonylcyclohexyl)methanamine
CID 107766733

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pentylsulfonyloxan-4-amine?
The IUPAC name of N-methyl-3-pentylsulfonyloxan-4-amine (CID 107758700) is N-methyl-3-pentylsulfonyloxan-4-amine.
What is the SMILES notation for N-methyl-3-pentylsulfonyloxan-4-amine?
The canonical SMILES for N-methyl-3-pentylsulfonyloxan-4-amine is CCCCCS(=O)(=O)C1COCCC1NC.
What is the InChIKey of N-methyl-3-pentylsulfonyloxan-4-amine?
The InChIKey is DWDGYSCYPKMTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-4-5-8-16(13,14)11-9-15-7-6-10(11)12-2/h10-12H,3-9H2,1-2H3.
What are the key properties of N-methyl-3-pentylsulfonyloxan-4-amine?
N-methyl-3-pentylsulfonyloxan-4-amine has a molecular weight of 249.38 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pentylsulfonyloxan-4-amine is sourced from PubChem (CID 107758700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).