[2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol

C11H22N2S — CID 156523840

IUPAC[2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol
SMILESCNCC1CC2(CCN(CS)CC2)C1
InChIInChI=1S/C11H22N2S/c1-12-8-10-6-11(7-10)2-4-13(9-14)5-3-11/h10,12,14H,2-9H2,1H3
InChIKeyKGAQDASEJWXYTH-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.59
Rot. Bonds3

About [2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol

[2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol (PubChem CID 156523840) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is [2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol.

Molecular Properties

Compound Name[2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol
PubChem CID156523840
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name[2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol
SMILESCNCC1CC2(CCN(CS)CC2)C1
InChIInChI=1S/C11H22N2S/c1-12-8-10-6-11(7-10)2-4-13(9-14)5-3-11/h10,12,14H,2-9H2,1H3
InChIKeyKGAQDASEJWXYTH-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methanamine
CID 170211191
N-methyl-1-[(7R)-7-methylspiro[3.4]octan-2-yl]methanamine
CID 155332094
N-methyl-1-spiro[3.4]octan-7-ylmethanamine
CID 170362229
2-ethyl-7-(2-methoxyethyl)-7-azaspiro[3.5]nonane
CID 177319164
7-(aminomethyl)-N-methyl-7-azaspiro[3.5]nonan-2-amine;ethane
CID 155707389
2-ethyl-7-[(1-methylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 171656955
(4,4-difluoropiperidin-1-yl)methanethiol
CID 116991227
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
ethane;7-ethyl-2-(3-methoxypropyl)-7-azaspiro[3.5]nonane
CID 171838330
7-propyl-7-azaspiro[3.5]nonan-2-amine
CID 146389071
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511549
1-(2,2-difluorospiro[2.3]hexan-5-yl)-N-methylmethanamine
CID 121207584

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol?
The IUPAC name of [2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol (CID 156523840) is [2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol.
What is the SMILES notation for [2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol?
The canonical SMILES for [2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol is CNCC1CC2(CCN(CS)CC2)C1.
What is the InChIKey of [2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol?
The InChIKey is KGAQDASEJWXYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-12-8-10-6-11(7-10)2-4-13(9-14)5-3-11/h10,12,14H,2-9H2,1H3.
What are the key properties of [2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol?
[2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol has a molecular weight of 214.38 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)-7-azaspiro[3.5]nonan-7-yl]methanethiol is sourced from PubChem (CID 156523840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).