N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine

C16H29NOS — CID 79903238

IUPACN-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCC1(C)C(NC2CCOC3(CCSCC3)C2)C1(C)C
InChIInChI=1S/C16H29NOS/c1-14(2)13(15(14,3)4)17-12-5-8-18-16(11-12)6-9-19-10-7-16/h12-13,17H,5-11H2,1-4H3
InChIKeyRMILFPZECXEEED-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.46
Rot. Bonds2

About N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine

N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (PubChem CID 79903238) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
PubChem CID79903238
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC NameN-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCC1(C)C(NC2CCOC3(CCSCC3)C2)C1(C)C
InChIInChI=1S/C16H29NOS/c1-14(2)13(15(14,3)4)17-12-5-8-18-16(11-12)6-9-19-10-7-16/h12-13,17H,5-11H2,1-4H3
InChIKeyRMILFPZECXEEED-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903159
1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79898198
N-(2-methyloxolan-3-yl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82725580
N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 103904026
N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80713723
N-(3,5-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903531
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903163
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
CID 114155940
N-(3-methyl-2-propan-2-ylbutyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 102905444
N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903431
N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 115567507

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (CID 79903238) is N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is CC1(C)C(NC2CCOC3(CCSCC3)C2)C1(C)C.
What is the InChIKey of N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The InChIKey is RMILFPZECXEEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-14(2)13(15(14,3)4)17-12-5-8-18-16(11-12)6-9-19-10-7-16/h12-13,17H,5-11H2,1-4H3.
What are the key properties of N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine has a molecular weight of 283.48 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79903238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).