N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine

C15H28N2OS — CID 107173436

IUPACN-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine
SMILESCN(C1CCCNCC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H28N2OS/c1-17(13-3-2-7-16-8-4-13)14-5-9-18-15(11-14)6-10-19-12-15/h13-14,16H,2-12H2,1H3
InChIKeyHRVUVOCRWMWZKM-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.12
Rot. Bonds2

About N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine

N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine (PubChem CID 107173436) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine
PubChem CID107173436
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine
SMILESCN(C1CCCNCC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H28N2OS/c1-17(13-3-2-7-16-8-4-13)14-5-9-18-15(11-14)6-10-19-12-15/h13-14,16H,2-12H2,1H3
InChIKeyHRVUVOCRWMWZKM-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79899995
1-N-ethyl-4-N-methyl-4-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexane-1,4-diamine
CID 79902820
N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898827
1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine
CID 79902825
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine
CID 107171962
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol
CID 103983033
2-methyl-2-[methyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanoic acid
CID 79894518
3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine
CID 79920471
N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 106632717
3-N-methyl-3-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,3-diamine
CID 79897829
N',2,2-trimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79900624
1,1-dimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hydrazine
CID 83015202

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine?
The IUPAC name of N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine (CID 107173436) is N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine.
What is the SMILES notation for N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine?
The canonical SMILES for N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine is CN(C1CCCNCC1)C1CCOC2(CCSC2)C1.
What is the InChIKey of N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine?
The InChIKey is HRVUVOCRWMWZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-17(13-3-2-7-16-8-4-13)14-5-9-18-15(11-14)6-10-19-12-15/h13-14,16H,2-12H2,1H3.
What are the key properties of N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine?
N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine has a molecular weight of 284.47 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine is sourced from PubChem (CID 107173436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).