N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine

C16H25NOS2 — CID 79895590

IUPACN-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCCC(NC1CCOC2(CCSCC2)C1)c1cccs1
InChIInChI=1S/C16H25NOS2/c1-2-14(15-4-3-9-20-15)17-13-5-8-18-16(12-13)6-10-19-11-7-16/h3-4,9,13-14,17H,2,5-8,10-12H2,1H3
InChIKeyYKXZPAKKYRHKMK-UHFFFAOYSA-N
MW311.52 g/mol
LogP4.23
Rot. Bonds4

About N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine

N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (PubChem CID 79895590) has the molecular formula C16H25NOS2 and a molecular weight of 311.52 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
PubChem CID79895590
Molecular FormulaC16H25NOS2
Molecular Weight311.52 g/mol
Exact Mass311.14
IUPAC NameN-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCCC(NC1CCOC2(CCSCC2)C1)c1cccs1
InChIInChI=1S/C16H25NOS2/c1-2-14(15-4-3-9-20-15)17-13-5-8-18-16(12-13)6-10-19-11-7-16/h3-4,9,13-14,17H,2,5-8,10-12H2,1H3
InChIKeyYKXZPAKKYRHKMK-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-thiophen-2-ylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895449
N-(1-thiophen-2-ylbutyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895810
N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898737
N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895882
N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79894827
N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817555
N-(1-thiophen-3-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79904180
1-(3-ethylthiophen-2-yl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 105017996
1-methyl-N-(1-thiophen-2-ylpropyl)pyrrolidin-3-amine
CID 61462269
3-ethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106285723
N-(2-phenylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897783
2,4,4-trimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 81321669

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (CID 79895590) is N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is CCC(NC1CCOC2(CCSCC2)C1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The InChIKey is YKXZPAKKYRHKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS2/c1-2-14(15-4-3-9-20-15)17-13-5-8-18-16(12-13)6-10-19-11-7-16/h3-4,9,13-14,17H,2,5-8,10-12H2,1H3.
What are the key properties of N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine has a molecular weight of 311.52 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79895590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).