N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine

C12H25NOS — CID 106495839

IUPACN-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCSCC1CCCO1
InChIInChI=1S/C12H25NOS/c1-3-5-11(2)13-7-9-15-10-12-6-4-8-14-12/h11-13H,3-10H2,1-2H3
InChIKeyKCNGKSFQQPVGTD-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.68
Rot. Bonds8

About N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine

N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine (PubChem CID 106495839) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
PubChem CID106495839
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC NameN-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCSCC1CCCO1
InChIInChI=1S/C12H25NOS/c1-3-5-11(2)13-7-9-15-10-12-6-4-8-14-12/h11-13H,3-10H2,1-2H3
InChIKeyKCNGKSFQQPVGTD-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(oxolan-2-ylmethylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 106495335
2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol
CID 106497590
1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 115889004
2-methyl-3-(oxolan-2-ylmethylsulfanyl)-N-propylpropan-1-amine
CID 106495354
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
2-(oxolan-2-ylmethylsulfanylmethyl)pentane-1-thiol
CID 106497624
2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane
CID 106493696
2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide
CID 106495560
3-ethoxy-N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]propan-1-amine
CID 106495895
N-(2-cyclopentylsulfanylethyl)pentan-2-amine
CID 63115660
N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
CID 115705777
6-methyl-N-[2-(oxolan-2-yl)ethyl]heptan-2-amine
CID 65163408

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine?
The IUPAC name of N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine (CID 106495839) is N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine?
The canonical SMILES for N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine is CCCC(C)NCCSCC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine?
The InChIKey is KCNGKSFQQPVGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-3-5-11(2)13-7-9-15-10-12-6-4-8-14-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine?
N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine has a molecular weight of 231.40 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine is sourced from PubChem (CID 106495839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).