6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

C15H20ClNS — CID 114107670

IUPAC6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1(C)CC1CNC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H20ClNS/c1-15(2)8-10(15)9-17-13-5-6-18-14-4-3-11(16)7-12(13)14/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3
InChIKeyWXCYNTMELTXNGB-UHFFFAOYSA-N
MW281.85 g/mol
LogP4.51
Rot. Bonds3

About 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 114107670) has the molecular formula C15H20ClNS and a molecular weight of 281.85 g/mol. Its IUPAC name is 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID114107670
Molecular FormulaC15H20ClNS
Molecular Weight281.85 g/mol
Exact Mass281.10
IUPAC Name6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1(C)CC1CNC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H20ClNS/c1-15(2)8-10(15)9-17-13-5-6-18-14-4-3-11(16)7-12(13)14/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3
InChIKeyWXCYNTMELTXNGB-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
6-chloro-N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63464061
6-chloro-N-(thian-4-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115719910
6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538839
6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 83108033
6-chloro-N-[(1-ethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 114099597
6-chloro-N-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232515
1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol
CID 65105744
6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 81043114
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106335886
6-chloro-N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232488
4-chloro-2-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]phenol
CID 43723360

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 114107670) is 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is CC1(C)CC1CNC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is WXCYNTMELTXNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNS/c1-15(2)8-10(15)9-17-13-5-6-18-14-4-3-11(16)7-12(13)14/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3.
What are the key properties of 6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 281.85 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-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 114107670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).