N-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide

C10H19NOS2 — CID 90853738

IUPACN-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)C1=CCSC1
InChIInChI=1S/C10H19NOS2/c1-8(9-5-6-13-7-9)11-14(12)10(2,3)4/h5,8,11H,6-7H2,1-4H3
InChIKeyZQZYSPCYZIUWHL-UHFFFAOYSA-N
MW233.40 g/mol
LogP2.10
Rot. Bonds3

About N-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide

N-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 90853738) has the molecular formula C10H19NOS2 and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID90853738
Molecular FormulaC10H19NOS2
Molecular Weight233.40 g/mol
Exact Mass233.09
IUPAC NameN-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)C1=CCSC1
InChIInChI=1S/C10H19NOS2/c1-8(9-5-6-13-7-9)11-14(12)10(2,3)4/h5,8,11H,6-7H2,1-4H3
InChIKeyZQZYSPCYZIUWHL-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-Methylhex-4-enylsulfinyl)propan-1-amine
CID 58684183
3-(4-Methylpent-3-enylsulfinyl)propan-1-amine
CID 58684375
2-(5-Methylhex-4-enylsulfinyl)ethanamine
CID 58685047
2-(4-Methylpent-3-enylsulfinyl)ethanamine
CID 58685133
4-[(Z)-but-1-enyl]-5-ethenyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane
CID 143601982
N-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 178137893
(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen
CID 178138057
N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide
CID 178138549
1-Ethylsulfanyl-4-methylpent-3-en-2-amine
CID 79177955
1-Butan-2-ylsulfanyl-4-methylpent-3-en-2-amine
CID 79178396
4-Methyl-1-propylsulfanylpent-3-en-2-amine
CID 79178608
4-Methyl-1-propan-2-ylsulfanylpent-3-en-2-amine
CID 79179265

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide (CID 90853738) is N-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide is CC(NS(=O)C(C)(C)C)C1=CCSC1.
What is the InChIKey of N-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZQZYSPCYZIUWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS2/c1-8(9-5-6-13-7-9)11-14(12)10(2,3)4/h5,8,11H,6-7H2,1-4H3.
What are the key properties of N-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide?
N-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 233.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90853738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).