N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine

C10H19NO3S — CID 106452157

IUPACN-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCC(C)COCCNC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-9(2)7-14-5-4-11-10-3-6-15(12,13)8-10/h3,6,9-11H,4-5,7-8H2,1-2H3
InChIKeyUKKNUBPDZCPORP-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.56
Rot. Bonds6

About N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine

N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 106452157) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID106452157
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCC(C)COCCNC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H19NO3S/c1-9(2)7-14-5-4-11-10-3-6-15(12,13)8-10/h3,6,9-11H,4-5,7-8H2,1-2H3
InChIKeyUKKNUBPDZCPORP-UHFFFAOYSA-N
XLogP0.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.56
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

1,1-dioxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydrothiophen-3-amine
CID 65708568
(3R,4R)-4-methoxy-5-methylsulfonyl-N-propylpent-1-en-3-amine
CID 167063224
3-Morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide
CID 5086904
(3R)-3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide
CID 6982967
(3S)-3-morpholin-4-ium-4-yl-2,3-dihydrothiophene 1,1-dioxide
CID 6982968
N-(2-morpholin-4-ylethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60694133
1,1-dioxo-N-(2-propan-2-yloxyethyl)-2,3-dihydrothiophen-3-amine
CID 60694817
N-(2-ethoxyethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60694937
N-(2-but-3-enoxyethyl)-1,1-dioxothiolan-3-amine
CID 62597651
2-but-3-enoxy-N-(2-methylsulfonylethyl)ethanamine
CID 62598520
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxolan-3-amine
CID 65706911
N-(2,2-dimethoxyethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 65706914

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 106452157) is N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine is CC(C)COCCNC1C=CS(=O)(=O)C1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is UKKNUBPDZCPORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-9(2)7-14-5-4-11-10-3-6-15(12,13)8-10/h3,6,9-11H,4-5,7-8H2,1-2H3.
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 233.33 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 106452157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).