6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine

C14H20ClNS — CID 43723344

IUPAC6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)C(C)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C14H20ClNS/c1-9(2)10(3)16-13-6-7-17-14-5-4-11(15)8-12(13)14/h4-5,8-10,13,16H,6-7H2,1-3H3
InChIKeyMNJWSKJBGZFDNZ-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.51
Rot. Bonds3

About 6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine

6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43723344) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is 6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43723344
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)C(C)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C14H20ClNS/c1-9(2)10(3)16-13-6-7-17-14-5-4-11(15)8-12(13)14/h4-5,8-10,13,16H,6-7H2,1-3H3
InChIKeyMNJWSKJBGZFDNZ-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 113457741
6-chloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43786670
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-propan-2-ylpropanamide
CID 115575495
6-chloro-N-(1-methylsulfonylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 64629732
6-chloro-N-[1-(2-methylphenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43723345
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
CID 104652539
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide
CID 47371964
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
6-chloro-N-pent-1-yn-3-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 114160681
2-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylbutanamide
CID 43699787
(2R)-N-carbamoyl-2-[[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]propanamide
CID 32511223
N-[1-(3-bromophenyl)ethyl]-6-chloro-3,4-dihydro-2H-thiochromen-4-amine
CID 43723358

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43723344) is 6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine is CC(C)C(C)NC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is MNJWSKJBGZFDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-9(2)10(3)16-13-6-7-17-14-5-4-11(15)8-12(13)14/h4-5,8-10,13,16H,6-7H2,1-3H3.
What are the key properties of 6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 269.84 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43723344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).