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

C13H25NOS — CID 80626361

IUPAC4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine
SMILESNC(CCCC1CCCO1)C1CCCCS1
InChIInChI=1S/C13H25NOS/c14-12(13-8-1-2-10-16-13)7-3-5-11-6-4-9-15-11/h11-13H,1-10,14H2
InChIKeyBWIQOKSVBNHYCR-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.95
Rot. Bonds5

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

4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine (PubChem CID 80626361) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine
PubChem CID80626361
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine
SMILESNC(CCCC1CCCO1)C1CCCCS1
InChIInChI=1S/C13H25NOS/c14-12(13-8-1-2-10-16-13)7-3-5-11-6-4-9-15-11/h11-13H,1-10,14H2
InChIKeyBWIQOKSVBNHYCR-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine
CID 80627166
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724
3-cyclopropyl-1-(thian-2-yl)propan-1-amine
CID 80626885
1,1-difluoro-4-(oxolan-2-yl)butan-2-amine
CID 103516728
5-methyl-1-(thiolan-2-yl)hexan-1-amine
CID 83160752
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722
4-methyl-7-(oxolan-2-yl)heptan-2-amine
CID 65164978
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105156646
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine?
The IUPAC name of 4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine (CID 80626361) is 4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine.
What is the SMILES notation for 4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine?
The canonical SMILES for 4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine is NC(CCCC1CCCO1)C1CCCCS1.
What is the InChIKey of 4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine?
The InChIKey is BWIQOKSVBNHYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c14-12(13-8-1-2-10-16-13)7-3-5-11-6-4-9-15-11/h11-13H,1-10,14H2.
What are the key properties of 4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine?
4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine has a molecular weight of 243.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-(thian-2-yl)butan-1-amine is sourced from PubChem (CID 80626361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).