N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride

C14H27ClN2OS — CID 119459618

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride
SMILESCCSC(C(=O)NC1CC2CCC(C1)N2)C(C)C.Cl
InChIInChI=1S/C14H26N2OS.ClH/c1-4-18-13(9(2)3)14(17)16-12-7-10-5-6-11(8-12)15-10;/h9-13,15H,4-8H2,1-3H3,(H,16,17);1H
InChIKeyKXVJBNLRPUYNJU-UHFFFAOYSA-N
MW306.90 g/mol
LogP2.59
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride (PubChem CID 119459618) has the molecular formula C14H27ClN2OS and a molecular weight of 306.90 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride
PubChem CID119459618
Molecular FormulaC14H27ClN2OS
Molecular Weight306.90 g/mol
Exact Mass306.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride
SMILESCCSC(C(=O)NC1CC2CCC(C1)N2)C(C)C.Cl
InChIInChI=1S/C14H26N2OS.ClH/c1-4-18-13(9(2)3)14(17)16-12-7-10-5-6-11(8-12)15-10;/h9-13,15H,4-8H2,1-3H3,(H,16,17);1H
InChIKeyKXVJBNLRPUYNJU-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.90
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 118732904
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]tetrahydrothiophen-3-amine
CID 50949036
2-Methyl-1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)propan-1-one
CID 42773548
5-Ethyl-2-piperidin-4-yl-1,3-thiazolidin-4-one
CID 59862962
(5S)-5-ethyl-2-piperidin-4-yl-1,3-thiazolidin-4-one
CID 59862965
(5R)-5-ethyl-2-piperidin-4-yl-1,3-thiazolidin-4-one
CID 59862966
3-(2-Piperidin-2-ylethyl)-2-propyl-1,3-thiazolidin-4-one
CID 87830053
2-Ethyl-3-(2-piperidin-2-ylethyl)-1,3-thiazolidin-4-one
CID 87830059
2-Methyl-1-(1-thia-4,8-diazaspiro[4.5]decan-8-yl)propan-1-one
CID 169318347
(2S)-2-amino-3-methyl-1-(1-thia-4,8-diazaspiro[4.5]decan-8-yl)butan-1-one
CID 169318571
4-Methyl-1-(1-thia-4,8-diazaspiro[4.5]decan-8-yl)pentan-1-one
CID 169645171
3-Methyl-1-(1-thia-4,8-diazaspiro[4.5]decan-8-yl)butan-1-one
CID 169645185

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride (CID 119459618) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride is CCSC(C(=O)NC1CC2CCC(C1)N2)C(C)C.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride?
The InChIKey is KXVJBNLRPUYNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS.ClH/c1-4-18-13(9(2)3)14(17)16-12-7-10-5-6-11(8-12)15-10;/h9-13,15H,4-8H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride has a molecular weight of 306.90 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-ethylsulfanyl-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119459618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).