N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine

C15H21NOS — CID 54906970

IUPACN-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESc1ccc2c(c1)SCCC2NCC1CCCOC1
InChIInChI=1S/C15H21NOS/c1-2-6-15-13(5-1)14(7-9-18-15)16-10-12-4-3-8-17-11-12/h1-2,5-6,12,14,16H,3-4,7-11H2
InChIKeyWGKRDDRNYLYLCS-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.24
Rot. Bonds3

About N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine

N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 54906970) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID54906970
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESc1ccc2c(c1)SCCC2NCC1CCCOC1
InChIInChI=1S/C15H21NOS/c1-2-6-15-13(5-1)14(7-9-18-15)16-10-12-4-3-8-17-11-12/h1-2,5-6,12,14,16H,3-4,7-11H2
InChIKeyWGKRDDRNYLYLCS-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 54907300
N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63462609
N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63453791
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]oxolan-3-ol
CID 84595637
N-(thian-4-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115719938
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide
CID 75443019
N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103782741
N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43231634
N-[2-(oxolan-2-ylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 84588279
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43178084
3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 54906974

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 54906970) is N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is c1ccc2c(c1)SCCC2NCC1CCCOC1.
What is the InChIKey of N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is WGKRDDRNYLYLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-6-15-13(5-1)14(7-9-18-15)16-10-12-4-3-8-17-11-12/h1-2,5-6,12,14,16H,3-4,7-11H2.
What are the key properties of N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 263.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 54906970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).