N-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine

C15H21NOS — CID 61288722

IUPACN-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)c1ccc2c(c1)C(NC1CC1)CCS2=O
InChIInChI=1S/C15H21NOS/c1-10(2)11-3-6-15-13(9-11)14(7-8-18(15)17)16-12-4-5-12/h3,6,9-10,12,14,16H,4-5,7-8H2,1-2H3
InChIKeyOIHFHFSQBKBBGL-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.11
Rot. Bonds3

About N-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine

N-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 61288722) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID61288722
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)c1ccc2c(c1)C(NC1CC1)CCS2=O
InChIInChI=1S/C15H21NOS/c1-10(2)11-3-6-15-13(9-11)14(7-8-18(15)17)16-12-4-5-12/h3,6,9-10,12,14,16H,4-5,7-8H2,1-2H3
InChIKeyOIHFHFSQBKBBGL-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-oxo-7-propan-2-yl-2,3,4,5-tetrahydro-1λ4-benzothiepin-5-amine
CID 61288325
1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 61287502
N-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine
CID 43539299
6-tert-butyl-1-oxo-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 61287920
4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122032353
2-[4-[(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]acetamide
CID 75434892
3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 71669978
2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene
CID 143471865
7-chloro-1-oxo-N-propyl-2,3,4,5-tetrahydro-1λ4-benzothiepin-5-amine
CID 61288709
1,1-dioxo-N,5-di(propan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 43539410
N-[4-[(6-bromo-1-oxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 143107709
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine (CID 61288722) is N-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine is CC(C)c1ccc2c(c1)C(NC1CC1)CCS2=O.
What is the InChIKey of N-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is OIHFHFSQBKBBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-10(2)11-3-6-15-13(9-11)14(7-8-18(15)17)16-12-4-5-12/h3,6,9-10,12,14,16H,4-5,7-8H2,1-2H3.
What are the key properties of N-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine?
N-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 263.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 61288722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).