1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine

C9H19NOS — CID 65164455

IUPAC1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
SMILESCSCC(N)CCC1CCCO1
InChIInChI=1S/C9H19NOS/c1-12-7-8(10)4-5-9-3-2-6-11-9/h8-9H,2-7,10H2,1H3
InChIKeyUFSWJINTYJCHKL-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.64
Rot. Bonds5

About 1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine

1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine (PubChem CID 65164455) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
PubChem CID65164455
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
SMILESCSCC(N)CCC1CCCO1
InChIInChI=1S/C9H19NOS/c1-12-7-8(10)4-5-9-3-2-6-11-9/h8-9H,2-7,10H2,1H3
InChIKeyUFSWJINTYJCHKL-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
1,1,1-trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164286
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine
CID 115848376
6-ethoxy-1-(oxolan-2-yl)hexan-3-amine
CID 105156946
4-methyl-3-[2-(oxolan-2-yl)ethyl]pentan-2-amine
CID 65161981
6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
CID 115849890

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine (CID 65164455) is 1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine is CSCC(N)CCC1CCCO1.
What is the InChIKey of 1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is UFSWJINTYJCHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-12-7-8(10)4-5-9-3-2-6-11-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine?
1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 189.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 65164455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).