N-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine

C14H19NS — CID 43539299

IUPACN-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC(C)c1ccc2c(c1)C(NC1CC1)CS2
InChIInChI=1S/C14H19NS/c1-9(2)10-3-6-14-12(7-10)13(8-16-14)15-11-4-5-11/h3,6-7,9,11,13,15H,4-5,8H2,1-2H3
InChIKeyYDRPQFMHHFTAPW-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.71
Rot. Bonds3

About N-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine

N-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43539299) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43539299
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC(C)c1ccc2c(c1)C(NC1CC1)CS2
InChIInChI=1S/C14H19NS/c1-9(2)10-3-6-14-12(7-10)13(8-16-14)15-11-4-5-11/h3,6-7,9,11,13,15H,4-5,8H2,1-2H3
InChIKeyYDRPQFMHHFTAPW-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-6-methyl-2,3-dihydro-1-benzothiophen-3-amine
CID 112715902
N-cyclopropyl-1-oxo-7-propan-2-yl-2,3,4,5-tetrahydro-1λ4-benzothiepin-5-amine
CID 61288325
N-cyclopropyl-1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 61288722
4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122032353
3-methyl-7-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine
CID 84620973
6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232535
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-propan-2-ylpiperidin-4-amine
CID 43230782
2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene
CID 143471865
5-propan-2-yl-2,3-dihydro-1,3-benzothiazole
CID 146691583
N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115721294
N-(2,3-dihydro-1-benzothiophen-3-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 81301136
N-cyclopropyl-3-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 83910395

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine (CID 43539299) is N-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine is CC(C)c1ccc2c(c1)C(NC1CC1)CS2.
What is the InChIKey of N-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is YDRPQFMHHFTAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-9(2)10-3-6-14-12(7-10)13(8-16-14)15-11-4-5-11/h3,6-7,9,11,13,15H,4-5,8H2,1-2H3.
What are the key properties of N-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine?
N-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 233.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-propan-2-yl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43539299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).