N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine

C15H21NOS — CID 103782741

IUPACN-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESc1ccc2c(c1)SCCC2NCCOCC1CC1
InChIInChI=1S/C15H21NOS/c1-2-4-15-13(3-1)14(7-10-18-15)16-8-9-17-11-12-5-6-12/h1-4,12,14,16H,5-11H2
InChIKeyCDERMXNNRHCXPM-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.24
Rot. Bonds6

About N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine

N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 103782741) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID103782741
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESc1ccc2c(c1)SCCC2NCCOCC1CC1
InChIInChI=1S/C15H21NOS/c1-2-4-15-13(3-1)14(7-10-18-15)16-8-9-17-11-12-5-6-12/h1-4,12,14,16H,5-11H2
InChIKeyCDERMXNNRHCXPM-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-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-[2-(oxolan-2-ylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 84588279
N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63462609
N-[2-(4-methoxyphenoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 112800989
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine
CID 103903582
N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103775877
N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 166197136
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43178084
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711938
N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine
CID 43206794
3-(3,4-dihydro-2H-thiochromen-4-ylamino)propane-1,2-diol
CID 60658466
N-[(2-aminophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 66417077

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 103782741) is N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is c1ccc2c(c1)SCCC2NCCOCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is CDERMXNNRHCXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-4-15-13(3-1)14(7-10-18-15)16-8-9-17-11-12-5-6-12/h1-4,12,14,16H,5-11H2.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 263.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 103782741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).