5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine

C10H21NOS — CID 106495008

IUPAC5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine
SMILESNCCCCCSCC1CCCO1
InChIInChI=1S/C10H21NOS/c11-6-2-1-3-8-13-9-10-5-4-7-12-10/h10H,1-9,11H2
InChIKeyBKVHTIRVQZYCGJ-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.03
Rot. Bonds7

About 5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine

5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine (PubChem CID 106495008) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine.

Molecular Properties

Compound Name5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine
PubChem CID106495008
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine
SMILESNCCCCCSCC1CCCO1
InChIInChI=1S/C10H21NOS/c11-6-2-1-3-8-13-9-10-5-4-7-12-10/h10H,1-9,11H2
InChIKeyBKVHTIRVQZYCGJ-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.03
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

10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol
CID 177221877
3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine
CID 66218560
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
CID 57157104
3-(oxolan-2-ylmethylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 106495335
[2-[3-(oxolan-2-ylmethylsulfanyl)propoxy]phenyl]methanamine
CID 106495036
2-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-(propan-2-ylamino)hexan-1-ol
CID 106497589
2-methyl-3-[3-(oxolan-2-yl)propylsulfanyl]propan-1-amine
CID 66224560
N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119407916
[(2R)-oxolan-2-yl]methanamine
CID 2734124
5-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]pentan-1-amine
CID 65158754
5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine
CID 43253069

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine?
The IUPAC name of 5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine (CID 106495008) is 5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine.
What is the SMILES notation for 5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine?
The canonical SMILES for 5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine is NCCCCCSCC1CCCO1.
What is the InChIKey of 5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine?
The InChIKey is BKVHTIRVQZYCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c11-6-2-1-3-8-13-9-10-5-4-7-12-10/h10H,1-9,11H2.
What are the key properties of 5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine?
5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine has a molecular weight of 203.35 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine is sourced from PubChem (CID 106495008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).