2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine

C10H21NOS — CID 63982996

IUPAC2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESCSCC(C)CNCC1CCOC1
InChIInChI=1S/C10H21NOS/c1-9(8-13-2)5-11-6-10-3-4-12-7-10/h9-11H,3-8H2,1-2H3
InChIKeyZLTIHIIDTQKPFO-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.61
Rot. Bonds6

About 2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine

2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine (PubChem CID 63982996) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
PubChem CID63982996
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESCSCC(C)CNCC1CCOC1
InChIInChI=1S/C10H21NOS/c1-9(8-13-2)5-11-6-10-3-4-12-7-10/h9-11H,3-8H2,1-2H3
InChIKeyZLTIHIIDTQKPFO-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
4-methyl-5-(oxolan-3-ylmethylamino)pentan-2-ol
CID 115887655
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238
N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 81101810
2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 60815560
4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine
CID 115887609
2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 43205527
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol
CID 115887516
1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 134457089
2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 79548553
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine (CID 63982996) is 2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine is CSCC(C)CNCC1CCOC1.
What is the InChIKey of 2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine?
The InChIKey is ZLTIHIIDTQKPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(8-13-2)5-11-6-10-3-4-12-7-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine?
2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine has a molecular weight of 203.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 63982996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).