N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine

C10H17NOS2 — CID 64653004

IUPACN-methyl-2-thiophen-2-ylsulfinylpentan-3-amine
SMILESCCC(NC)C(C)S(=O)c1cccs1
InChIInChI=1S/C10H17NOS2/c1-4-9(11-3)8(2)14(12)10-6-5-7-13-10/h5-9,11H,4H2,1-3H3
InChIKeyJNAPETQEWCDDJD-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.24
Rot. Bonds5

About N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine

N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine (PubChem CID 64653004) has the molecular formula C10H17NOS2 and a molecular weight of 231.39 g/mol. Its IUPAC name is N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine.

Molecular Properties

Compound NameN-methyl-2-thiophen-2-ylsulfinylpentan-3-amine
PubChem CID64653004
Molecular FormulaC10H17NOS2
Molecular Weight231.39 g/mol
Exact Mass231.08
IUPAC NameN-methyl-2-thiophen-2-ylsulfinylpentan-3-amine
SMILESCCC(NC)C(C)S(=O)c1cccs1
InChIInChI=1S/C10H17NOS2/c1-4-9(11-3)8(2)14(12)10-6-5-7-13-10/h5-9,11H,4H2,1-3H3
InChIKeyJNAPETQEWCDDJD-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-thiophen-2-ylsulfinylpentan-3-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

2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine
CID 64657553
N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine
CID 64651350
N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine
CID 64653423
3-thiophen-2-ylsulfinylpentan-1-amine
CID 81329352
ethyl 2-thiophen-2-ylsulfinylbutanoate
CID 64662688
(2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide
CID 97325285
N-methyl-2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63559720
3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol
CID 64900182
N,3-dimethyl-1-thiophen-2-ylhexan-2-amine
CID 61064795
2-tert-butylsulfinylthiophene
CID 784928
N-methylpropan-2-amine;2-methylthiophene
CID 142896326
N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine
CID 64652385

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine?
The IUPAC name of N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine (CID 64653004) is N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine.
What is the SMILES notation for N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine?
The canonical SMILES for N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine is CCC(NC)C(C)S(=O)c1cccs1.
What is the InChIKey of N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine?
The InChIKey is JNAPETQEWCDDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS2/c1-4-9(11-3)8(2)14(12)10-6-5-7-13-10/h5-9,11H,4H2,1-3H3.
What are the key properties of N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine?
N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine has a molecular weight of 231.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine is sourced from PubChem (CID 64653004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).