N-(1-methylsulfanylbutan-2-yl)oxan-4-amine

C10H21NOS — CID 115901812

IUPACN-(1-methylsulfanylbutan-2-yl)oxan-4-amine
SMILESCCC(CSC)NC1CCOCC1
InChIInChI=1S/C10H21NOS/c1-3-9(8-13-2)11-10-4-6-12-7-5-10/h9-11H,3-8H2,1-2H3
InChIKeyQOGYNWCDPAXKNM-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.90
Rot. Bonds5

About N-(1-methylsulfanylbutan-2-yl)oxan-4-amine

N-(1-methylsulfanylbutan-2-yl)oxan-4-amine (PubChem CID 115901812) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-(1-methylsulfanylbutan-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(1-methylsulfanylbutan-2-yl)oxan-4-amine
PubChem CID115901812
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-(1-methylsulfanylbutan-2-yl)oxan-4-amine
SMILESCCC(CSC)NC1CCOCC1
InChIInChI=1S/C10H21NOS/c1-3-9(8-13-2)11-10-4-6-12-7-5-10/h9-11H,3-8H2,1-2H3
InChIKeyQOGYNWCDPAXKNM-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylsulfanylbutan-2-yl)cyclohexanamine
CID 115901653
N-(1-methylsulfanylbutan-2-yl)thian-4-amine
CID 115901705
4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol
CID 115894377
N-(1-methylsulfanylbutan-2-yl)thiolan-3-amine
CID 115901781
(2R)-2-(oxolan-3-ylamino)butan-1-ol
CID 103922432
2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol
CID 64806225
N-(1-methylsulfanylbutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 115901796
1-[(2S)-1-methylsulfanylbutan-2-yl]-3-(oxan-4-ylmethyl)urea
CID 124615314
N-(1-methylsulfanylbutan-2-yl)-1,1-dioxothian-3-amine
CID 115901614
4-methyl-2-(oxan-4-ylamino)pentan-1-ol
CID 21355434
N-hexan-3-ylcyclopropanamine
CID 103920845
N-[(2R)-3-methylbutan-2-yl]oxan-4-amine
CID 93218328

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylbutan-2-yl)oxan-4-amine?
The IUPAC name of N-(1-methylsulfanylbutan-2-yl)oxan-4-amine (CID 115901812) is N-(1-methylsulfanylbutan-2-yl)oxan-4-amine.
What is the SMILES notation for N-(1-methylsulfanylbutan-2-yl)oxan-4-amine?
The canonical SMILES for N-(1-methylsulfanylbutan-2-yl)oxan-4-amine is CCC(CSC)NC1CCOCC1.
What is the InChIKey of N-(1-methylsulfanylbutan-2-yl)oxan-4-amine?
The InChIKey is QOGYNWCDPAXKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-9(8-13-2)11-10-4-6-12-7-5-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(1-methylsulfanylbutan-2-yl)oxan-4-amine?
N-(1-methylsulfanylbutan-2-yl)oxan-4-amine has a molecular weight of 203.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylbutan-2-yl)oxan-4-amine is sourced from PubChem (CID 115901812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).