3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine

C9H21NO3S — CID 64696573

IUPAC3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CS(=O)(=O)C(C)CC
InChIInChI=1S/C9H21NO3S/c1-4-8(3)14(11,12)7-9(6-10)13-5-2/h8-9H,4-7,10H2,1-3H3
InChIKeyRBELDNACGPWOPN-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.56
Rot. Bonds7

About 3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine

3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine (PubChem CID 64696573) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine
PubChem CID64696573
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CS(=O)(=O)C(C)CC
InChIInChI=1S/C9H21NO3S/c1-4-8(3)14(11,12)7-9(6-10)13-5-2/h8-9H,4-7,10H2,1-3H3
InChIKeyRBELDNACGPWOPN-UHFFFAOYSA-N
XLogP0.56
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine?
The IUPAC name of 3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine (CID 64696573) is 3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine.
What is the SMILES notation for 3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine?
The canonical SMILES for 3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine is CCOC(CN)CS(=O)(=O)C(C)CC.
What is the InChIKey of 3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine?
The InChIKey is RBELDNACGPWOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-4-8(3)14(11,12)7-9(6-10)13-5-2/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine?
3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylsulfonyl-2-ethoxypropan-1-amine is sourced from PubChem (CID 64696573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).