N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine

C17H30N2OS — CID 115307359

IUPACN-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine
SMILESC1CC(N2CCC(NCC3CC3)CC2)CC2(CCSC2)O1
InChIInChI=1S/C17H30N2OS/c1-2-14(1)12-18-15-3-7-19(8-4-15)16-5-9-20-17(11-16)6-10-21-13-17/h14-16,18H,1-13H2
InChIKeyOGJJFMOGSOPWGE-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.51
Rot. Bonds4

About N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine

N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine (PubChem CID 115307359) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine
PubChem CID115307359
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine
SMILESC1CC(N2CCC(NCC3CC3)CC2)CC2(CCSC2)O1
InChIInChI=1S/C17H30N2OS/c1-2-14(1)12-18-15-3-7-19(8-4-15)16-5-9-20-17(11-16)6-10-21-13-17/h14-16,18H,1-13H2
InChIKeyOGJJFMOGSOPWGE-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79902634
N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895635
2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol
CID 82691820
N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79901473
2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol
CID 79920547
[4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 114961459
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 113281993
N-[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]cyclopropanamine
CID 79920791
[(2S)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919781
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897871
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-propylpiperidin-4-amine
CID 79895232
[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-2-yl]methanol
CID 79919988

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine (CID 115307359) is N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine is C1CC(N2CCC(NCC3CC3)CC2)CC2(CCSC2)O1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine?
The InChIKey is OGJJFMOGSOPWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-2-14(1)12-18-15-3-7-19(8-4-15)16-5-9-20-17(11-16)6-10-21-13-17/h14-16,18H,1-13H2.
What are the key properties of N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine?
N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine has a molecular weight of 310.51 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine is sourced from PubChem (CID 115307359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).