N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine

C12H24N2O2S — CID 106603532

IUPACN-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine
SMILESCCN(CC1CCCN1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-2-14(10-11-4-3-7-13-11)12-5-8-17(15,16)9-6-12/h11-13H,2-10H2,1H3
InChIKeyVIWDRMKJQIMEBH-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.64
Rot. Bonds4

About N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine

N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine (PubChem CID 106603532) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine.

Molecular Properties

Compound NameN-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine
PubChem CID106603532
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine
SMILESCCN(CC1CCCN1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-2-14(10-11-4-3-7-13-11)12-5-8-17(15,16)9-6-12/h11-13H,2-10H2,1H3
InChIKeyVIWDRMKJQIMEBH-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-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

Related Compounds

N-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrrolidin-3-amine
CID 106603535
N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine
CID 106603663
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613965
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979274
(3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine
CID 129413675
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide
CID 106609917
N-but-2-ynyl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599846
N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604067
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine?
The IUPAC name of N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine (CID 106603532) is N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine.
What is the SMILES notation for N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine?
The canonical SMILES for N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine is CCN(CC1CCCN1)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine?
The InChIKey is VIWDRMKJQIMEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-2-14(10-11-4-3-7-13-11)12-5-8-17(15,16)9-6-12/h11-13H,2-10H2,1H3.
What are the key properties of N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine?
N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine has a molecular weight of 260.40 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thian-4-amine is sourced from PubChem (CID 106603532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).