N-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine

C10H19NO3S — CID 43679724

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine
SMILESCC1(NC2CCOCC2)CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-10(4-7-15(12,13)8-10)11-9-2-5-14-6-3-9/h9,11H,2-8H2,1H3
InChIKeyHPFFXNHYLRGQPB-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.33
Rot. Bonds2

About N-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine

N-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine (PubChem CID 43679724) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine
PubChem CID43679724
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine
SMILESCC1(NC2CCOCC2)CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-10(4-7-15(12,13)8-10)11-9-2-5-14-6-3-9/h9,11H,2-8H2,1H3
InChIKeyHPFFXNHYLRGQPB-UHFFFAOYSA-N
XLogP0.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1-Dioxo-tetrahydrothiophen-3-yl)-(3-methoxy-propyl)-amine
CID 3131599
[(3S)-1,1-dioxothiolan-3-yl]-(3-methoxypropyl)azanium
CID 7128966
(3S)-N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine
CID 7128967
N-(3-ethoxypropyl)-1,1-dioxothiolan-3-amine
CID 16790906
(3R)-N-(3-methoxypropyl)-1,1-dioxothiolan-3-amine
CID 40479588
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-(cyclopropylmethoxy)propyl]-1,1-dioxothian-4-amine
CID 43511680
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
(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)tetrahydro-2H-pyran-4-ylamine
CID 43609976

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine (CID 43679724) is N-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine is CC1(NC2CCOCC2)CCS(=O)(=O)C1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine?
The InChIKey is HPFFXNHYLRGQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-10(4-7-15(12,13)8-10)11-9-2-5-14-6-3-9/h9,11H,2-8H2,1H3.
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine?
N-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine has a molecular weight of 233.33 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)oxan-4-amine is sourced from PubChem (CID 43679724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).