N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine

C16H29NOS — CID 81034755

IUPACN-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine
SMILESCNCC1CCCC1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H29NOS/c1-17-12-14-3-2-4-15(14)13-5-8-18-16(11-13)6-9-19-10-7-16/h13-15,17H,2-12H2,1H3
InChIKeySSCSVXRNPPUHMX-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.31
Rot. Bonds3

About N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine

N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine (PubChem CID 81034755) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine
PubChem CID81034755
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC NameN-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine
SMILESCNCC1CCCC1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H29NOS/c1-17-12-14-3-2-4-15(14)13-5-8-18-16(11-13)6-9-19-10-7-16/h13-15,17H,2-12H2,1H3
InChIKeySSCSVXRNPPUHMX-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81027223
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexyl]methyl]ethanamine
CID 81027990
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine
CID 81033535
[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine
CID 81010128
4-(2-bromocyclopentyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79920153
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine
CID 81027844
4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79919680
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79911492
1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81033462
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine
CID 81034352
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine
CID 81018268
N-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cycloheptan-1-amine
CID 79923380

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine?
The IUPAC name of N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine (CID 81034755) is N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine is CNCC1CCCC1C1CCOC2(CCSCC2)C1.
What is the InChIKey of N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine?
The InChIKey is SSCSVXRNPPUHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-17-12-14-3-2-4-15(14)13-5-8-18-16(11-13)6-9-19-10-7-16/h13-15,17H,2-12H2,1H3.
What are the key properties of N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine?
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine has a molecular weight of 283.48 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine is sourced from PubChem (CID 81034755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).