4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine

C10H21NOS — CID 115887609

IUPAC4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine
SMILESCSCCC(C)NCC1CCOC1
InChIInChI=1S/C10H21NOS/c1-9(4-6-13-2)11-7-10-3-5-12-8-10/h9-11H,3-8H2,1-2H3
InChIKeyFBVDONPRUHUGBY-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.75
Rot. Bonds6

About 4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine

4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine (PubChem CID 115887609) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine
PubChem CID115887609
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine
SMILESCSCCC(C)NCC1CCOC1
InChIInChI=1S/C10H21NOS/c1-9(4-6-13-2)11-7-10-3-5-12-8-10/h9-11H,3-8H2,1-2H3
InChIKeyFBVDONPRUHUGBY-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 134457089
2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 63982996
4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol
CID 115711535
N-(oxolan-3-ylmethyl)but-3-en-2-amine
CID 115887872
1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 61477177
4-methyl-3-(oxolan-3-ylmethylamino)pentan-1-ol
CID 115887731
N,N-dimethyl-3-(oxolan-3-ylmethylamino)butanamide
CID 115712358
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238
4-methyl-N-(oxan-3-ylmethyl)pentan-2-amine
CID 61020127
1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine
CID 115710920
4-[2-(oxolan-3-ylmethylamino)propyl]phenol
CID 115494210
1-(furan-2-yl)-N-(oxolan-3-ylmethyl)propan-2-amine
CID 43693110

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine?
The IUPAC name of 4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine (CID 115887609) is 4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine?
The canonical SMILES for 4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine is CSCCC(C)NCC1CCOC1.
What is the InChIKey of 4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine?
The InChIKey is FBVDONPRUHUGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(4-6-13-2)11-7-10-3-5-12-8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine?
4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine has a molecular weight of 203.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 115887609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).