2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine

C12H23NS — CID 62712265

IUPAC2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1CC12CCSCC2
InChIInChI=1S/C12H23NS/c1-11(2,3)13-9-10-8-12(10)4-6-14-7-5-12/h10,13H,4-9H2,1-3H3
InChIKeyUHDMMDMNKZLDFF-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.91
Rot. Bonds2

About 2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine

2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine (PubChem CID 62712265) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine
PubChem CID62712265
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1CC12CCSCC2
InChIInChI=1S/C12H23NS/c1-11(2,3)13-9-10-8-12(10)4-6-14-7-5-12/h10,13H,4-9H2,1-3H3
InChIKeyUHDMMDMNKZLDFF-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine (CID 62712265) is 2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine is CC(C)(C)NCC1CC12CCSCC2.
What is the InChIKey of 2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine?
The InChIKey is UHDMMDMNKZLDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-11(2,3)13-9-10-8-12(10)4-6-14-7-5-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine?
2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine 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 2-methyl-N-(6-thiaspiro[2.5]octan-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 62712265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).