N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine

C17H25NS — CID 43224338

IUPACN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine
SMILESCC(NC1CCSCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H25NS/c1-13(18-17-8-10-19-11-9-17)15-7-6-14-4-2-3-5-16(14)12-15/h6-7,12-13,17-18H,2-5,8-11H2,1H3
InChIKeyHHNOWMVYRCEMDV-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.11
Rot. Bonds3

About N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine (PubChem CID 43224338) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine.

Molecular Properties

Compound NameN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine
PubChem CID43224338
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC NameN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine
SMILESCC(NC1CCSCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H25NS/c1-13(18-17-8-10-19-11-9-17)15-7-6-14-4-2-3-5-16(14)12-15/h6-7,12-13,17-18H,2-5,8-11H2,1H3
InChIKeyHHNOWMVYRCEMDV-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexan-1-amine
CID 43079394
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine
CID 43094735
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopent-3-en-1-amine
CID 113262702
N-[1-(3,4-dichlorophenyl)ethyl]thian-4-amine
CID 43394908
N-(cyclobutylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43298255
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61039133
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 64739909
N-[(1S)-1-(4-bromophenyl)ethyl]thian-4-amine
CID 81359779
4,4-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-3-amine
CID 79954836
1-cyclopentyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]ethanamine
CID 63444402
3-[1-(thian-4-ylamino)ethyl]phenol
CID 43748609
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
CID 81370902

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine?
The IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine (CID 43224338) is N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine.
What is the SMILES notation for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine?
The canonical SMILES for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine is CC(NC1CCSCC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine?
The InChIKey is HHNOWMVYRCEMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-13(18-17-8-10-19-11-9-17)15-7-6-14-4-2-3-5-16(14)12-15/h6-7,12-13,17-18H,2-5,8-11H2,1H3.
What are the key properties of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine?
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine has a molecular weight of 275.46 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine is sourced from PubChem (CID 43224338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).