N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine

C16H29NOS — CID 81385058

IUPACN-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC[C@@H](NC1CCOC2(CCSC2)C1)C1CCCCC1
InChIInChI=1S/C16H29NOS/c1-13(14-5-3-2-4-6-14)17-15-7-9-18-16(11-15)8-10-19-12-16/h13-15,17H,2-12H2,1H3/t13-,15?,16?/m1/s1
InChIKeyCBNXVAXYKLVWLR-IUDNXUCKSA-N
MW283.48 g/mol
LogP3.60
Rot. Bonds3

About N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 81385058) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID81385058
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC NameN-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC[C@@H](NC1CCOC2(CCSC2)C1)C1CCCCC1
InChIInChI=1S/C16H29NOS/c1-13(14-5-3-2-4-6-14)17-15-7-9-18-16(11-15)8-10-19-12-16/h13-15,17H,2-12H2,1H3/t13-,15?,16?/m1/s1
InChIKeyCBNXVAXYKLVWLR-IUDNXUCKSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81384866
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-but-3-yn-2-yl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 114416794
N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103791803
2-cyclopropyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)acetic acid
CID 79893976
N-(1-ethoxypropan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895529
3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butanamide
CID 113349009
1-cyclooctyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97234883
1-cycloheptyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97235483
N-(1-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83032971
1,1-dimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hydrazine
CID 83015202
N-[1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895765

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 81385058) is N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is C[C@@H](NC1CCOC2(CCSC2)C1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is CBNXVAXYKLVWLR-IUDNXUCKSA-N. The full InChI is InChI=1S/C16H29NOS/c1-13(14-5-3-2-4-6-14)17-15-7-9-18-16(11-15)8-10-19-12-16/h13-15,17H,2-12H2,1H3/t13-,15?,16?/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 283.48 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 81385058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).