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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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).