N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine

C16H28N2OS — CID 79902634

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC1CC(NCC2CCN(C3CC3)C2)CC2(CCSC2)O1
InChIInChI=1S/C16H28N2OS/c1-2-15(1)18-6-3-13(11-18)10-17-14-4-7-19-16(9-14)5-8-20-12-16/h13-15,17H,1-12H2
InChIKeyCPIJWUCMWWFHTC-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.12
Rot. Bonds4

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79902634) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79902634
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESC1CC(NCC2CCN(C3CC3)C2)CC2(CCSC2)O1
InChIInChI=1S/C16H28N2OS/c1-2-15(1)18-6-3-13(11-18)10-17-14-4-7-19-16(9-14)5-8-20-12-16/h13-15,17H,1-12H2
InChIKeyCPIJWUCMWWFHTC-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine
CID 115307359
N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895635
N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79901473
5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one
CID 79903904
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897871
2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol
CID 79920547
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 98559596
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107166637
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine
CID 155891929
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208
[4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 114961459
3-[(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)methyl]cyclopentan-1-ol
CID 106129756

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79902634) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is C1CC(NCC2CCN(C3CC3)C2)CC2(CCSC2)O1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is CPIJWUCMWWFHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-2-15(1)18-6-3-13(11-18)10-17-14-4-7-19-16(9-14)5-8-20-12-16/h13-15,17H,1-12H2.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 296.48 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79902634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).