2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine

C11H19NOS — CID 131036142

IUPAC2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine
SMILESC1CC(NC2CSC2)CC(C2CC2)O1
InChIInChI=1S/C11H19NOS/c1-2-8(1)11-5-9(3-4-13-11)12-10-6-14-7-10/h8-12H,1-7H2
InChIKeyHYOGYFWYEZLFIJ-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.65
Rot. Bonds3

About 2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine

2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine (PubChem CID 131036142) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine
PubChem CID131036142
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine
SMILESC1CC(NC2CSC2)CC(C2CC2)O1
InChIInChI=1S/C11H19NOS/c1-2-8(1)11-5-9(3-4-13-11)12-10-6-14-7-10/h8-12H,1-7H2
InChIKeyHYOGYFWYEZLFIJ-UHFFFAOYSA-N
XLogP1.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(2-cyclopropyloxan-4-yl)amino]cyclobutyl]carbamate
CID 126804109
2-cyclopropyloxetane
CID 102488279
methyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate
CID 91648649
2-methyl-N-(thian-3-yl)oxan-4-amine
CID 115898568
(2S,4R)-2-cyclopropyl-N-(3,3-dimethylbutyl)oxan-4-amine
CID 99825920
(2R,4S)-2-cyclopropyloxan-4-amine
CID 82651260
(2R,4S)-2-cyclopropyl-4-methyloxane
CID 118913002
N-(2-cyclopropyloxan-4-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 133473691
2-propan-2-yl-N-(thian-4-yl)oxan-4-amine
CID 115888210
N-(2-cyclopropyloxan-4-yl)pyridin-2-amine
CID 133473667
1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea
CID 99578632
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea
CID 99843111

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine?
The IUPAC name of 2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine (CID 131036142) is 2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine is C1CC(NC2CSC2)CC(C2CC2)O1.
What is the InChIKey of 2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine?
The InChIKey is HYOGYFWYEZLFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-2-8(1)11-5-9(3-4-13-11)12-10-6-14-7-10/h8-12H,1-7H2.
What are the key properties of 2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine?
2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine has a molecular weight of 213.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(thietan-3-yl)oxan-4-amine is sourced from PubChem (CID 131036142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).