N-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine

C12H23NS — CID 83909866

IUPACN-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine
SMILESCNCC1CCSCC12CCCCC2
InChIInChI=1S/C12H23NS/c1-13-9-11-5-8-14-10-12(11)6-3-2-4-7-12/h11,13H,2-10H2,1H3
InChIKeyJHIKVSBWPGVSDB-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.91
Rot. Bonds2

About N-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine

N-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine (PubChem CID 83909866) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine
PubChem CID83909866
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine
SMILESCNCC1CCSCC12CCCCC2
InChIInChI=1S/C12H23NS/c1-13-9-11-5-8-14-10-12(11)6-3-2-4-7-12/h11,13H,2-10H2,1H3
InChIKeyJHIKVSBWPGVSDB-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidin-1-ium chloride
CID 17980464
4-Cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine
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(4-Cyclohexylpiperidin-4-yl)methanethiolate;tungsten
CID 58606763
4-Cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride
CID 86209349
Propane;1-thia-4-azaspiro[5.5]undecane
CID 123480462
6-(1,1-dimethylthiiran-2-yl)-N,2,2,3-tetramethylhexan-1-amine
CID 123969535
(2S)-2-methyl-2-[(2S)-2-methyl-1-methylsulfanylpentan-3-yl]-N-propylheptan-1-amine
CID 134217142
(4S)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isothiochromen-4-amine
CID 140484104
3-(Thian-2-yl)piperidine
CID 141821074
(3S)-N-methyl-5-pentylthian-3-amine
CID 141885095

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine?
The IUPAC name of N-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine (CID 83909866) is N-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine is CNCC1CCSCC12CCCCC2.
What is the InChIKey of N-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine?
The InChIKey is JHIKVSBWPGVSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-13-9-11-5-8-14-10-12(11)6-3-2-4-7-12/h11,13H,2-10H2,1H3.
What are the key properties of N-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine?
N-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine has a molecular weight of 213.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine is sourced from PubChem (CID 83909866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).