3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol

C9H19NO4S — CID 106496071

IUPAC3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol
SMILESNC(CCO)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO4S/c10-8(3-4-11)6-15(12,13)7-9-2-1-5-14-9/h8-9,11H,1-7,10H2
InChIKeyPPQFKZSQHUJTQG-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.71
Rot. Bonds6

About 3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol

3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol (PubChem CID 106496071) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol
PubChem CID106496071
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol
SMILESNC(CCO)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO4S/c10-8(3-4-11)6-15(12,13)7-9-2-1-5-14-9/h8-9,11H,1-7,10H2
InChIKeyPPQFKZSQHUJTQG-UHFFFAOYSA-N
XLogP-0.71
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol?
The IUPAC name of 3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol (CID 106496071) is 3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol.
What is the SMILES notation for 3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol?
The canonical SMILES for 3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol is NC(CCO)CS(=O)(=O)CC1CCCO1.
What is the InChIKey of 3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol?
The InChIKey is PPQFKZSQHUJTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c10-8(3-4-11)6-15(12,13)7-9-2-1-5-14-9/h8-9,11H,1-7,10H2.
What are the key properties of 3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol?
3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol has a molecular weight of 237.32 g/mol, XLogP of -0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(oxolan-2-ylmethylsulfonyl)butan-1-ol is sourced from PubChem (CID 106496071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).