N-(3-methylbutyl)-1,1-dioxothian-4-amine

C10H21NO2S — CID 43511495

IUPACN-(3-methylbutyl)-1,1-dioxothian-4-amine
SMILESCC(C)CCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO2S/c1-9(2)3-6-11-10-4-7-14(12,13)8-5-10/h9-11H,3-8H2,1-2H3
InChIKeyFDJNEZDKCNFTQR-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds4

About N-(3-methylbutyl)-1,1-dioxothian-4-amine

N-(3-methylbutyl)-1,1-dioxothian-4-amine (PubChem CID 43511495) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(3-methylbutyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-1,1-dioxothian-4-amine
PubChem CID43511495
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(3-methylbutyl)-1,1-dioxothian-4-amine
SMILESCC(C)CCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO2S/c1-9(2)3-6-11-10-4-7-14(12,13)8-5-10/h9-11H,3-8H2,1-2H3
InChIKeyFDJNEZDKCNFTQR-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbutyl)-1,1-dioxothian-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(3-methylbutyl)-1,1-dioxothian-4-amine (CID 43511495) is N-(3-methylbutyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(3-methylbutyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(3-methylbutyl)-1,1-dioxothian-4-amine is CC(C)CCNC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(3-methylbutyl)-1,1-dioxothian-4-amine?
The InChIKey is FDJNEZDKCNFTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2)3-6-11-10-4-7-14(12,13)8-5-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-1,1-dioxothian-4-amine?
N-(3-methylbutyl)-1,1-dioxothian-4-amine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 43511495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).