N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine

C10H13NOS — CID 66350323

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine
SMILESC1=COC(CNc2ccsc2)CC1
InChIInChI=1S/C10H13NOS/c1-2-5-12-10(3-1)7-11-9-4-6-13-8-9/h2,4-6,8,10-11H,1,3,7H2
InChIKeyZFQQBBRLCFDOQQ-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.85
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine (PubChem CID 66350323) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine
PubChem CID66350323
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine
SMILESC1=COC(CNc2ccsc2)CC1
InChIInChI=1S/C10H13NOS/c1-2-5-12-10(3-1)7-11-9-4-6-13-8-9/h2,4-6,8,10-11H,1,3,7H2
InChIKeyZFQQBBRLCFDOQQ-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-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

N-(cyclopent-3-en-1-ylmethyl)thiophen-3-amine
CID 164660839
3,4-dichloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)aniline
CID 62064185
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-thiophen-3-ylethanol
CID 107095013
N-(cyclopropylmethyl)thiophen-3-amine
CID 66350326
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 62064398
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline
CID 62064376
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-nitroaniline
CID 62064727
4-bromo-3-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)aniline
CID 107619335
4-bromo-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-fluoroaniline
CID 65433520
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(2-methoxyethoxy)aniline
CID 55030880
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethynylaniline
CID 62065052
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 62064568

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine (CID 66350323) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine is C1=COC(CNc2ccsc2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine?
The InChIKey is ZFQQBBRLCFDOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-2-5-12-10(3-1)7-11-9-4-6-13-8-9/h2,4-6,8,10-11H,1,3,7H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine has a molecular weight of 195.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine is sourced from PubChem (CID 66350323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).