N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine

C15H19NS — CID 103903582

IUPACN-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESC#CCCCCNC1CCSc2ccccc21
InChIInChI=1S/C15H19NS/c1-2-3-4-7-11-16-14-10-12-17-15-9-6-5-8-13(14)15/h1,5-6,8-9,14,16H,3-4,7,10-12H2
InChIKeyHQPUQJSHPHOHKY-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.62
Rot. Bonds5

About N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine

N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 103903582) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID103903582
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESC#CCCCCNC1CCSc2ccccc21
InChIInChI=1S/C15H19NS/c1-2-3-4-7-11-16-14-10-12-17-15-9-6-5-8-13(14)15/h1,5-6,8-9,14,16H,3-4,7,10-12H2
InChIKeyHQPUQJSHPHOHKY-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine
CID 115724846
N-hex-5-ynyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 104925177
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43178084
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103782741
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 64548240
N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 63656053
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-methylpropanenitrile
CID 60658495
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 105415014
N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63462609
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-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine (CID 103903582) is N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine is C#CCCCCNC1CCSc2ccccc21.
What is the InChIKey of N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is HQPUQJSHPHOHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-2-3-4-7-11-16-14-10-12-17-15-9-6-5-8-13(14)15/h1,5-6,8-9,14,16H,3-4,7,10-12H2.
What are the key properties of N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine?
N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 245.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 103903582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).