N-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine

C16H29NOS — CID 81015739

IUPACN-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H29NOS/c1-12(10-17-15-3-4-15)13(2)14-5-7-18-16(9-14)6-8-19-11-16/h12-15,17H,3-11H2,1-2H3
InChIKeyORCOWTFTYWYNME-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.31
Rot. Bonds5

About N-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine

N-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine (PubChem CID 81015739) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is N-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine
PubChem CID81015739
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC NameN-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H29NOS/c1-12(10-17-15-3-4-15)13(2)14-5-7-18-16(9-14)6-8-19-11-16/h12-15,17H,3-11H2,1-2H3
InChIKeyORCOWTFTYWYNME-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 81015584
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903700
N-[cyclopentyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79914457
N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79914136
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine
CID 79915541
N-[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]cyclopropanamine
CID 79920791
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170685
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-one
CID 79893882
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208
2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 107443240

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine (CID 81015739) is N-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine is CC(CNC1CC1)C(C)C1CCOC2(CCSC2)C1.
What is the InChIKey of N-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine?
The InChIKey is ORCOWTFTYWYNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-12(10-17-15-3-4-15)13(2)14-5-7-18-16(9-14)6-8-19-11-16/h12-15,17H,3-11H2,1-2H3.
What are the key properties of N-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine?
N-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine has a molecular weight of 283.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butyl]cyclopropanamine is sourced from PubChem (CID 81015739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).