2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile

C10H18N2O2S — CID 155599177

IUPAC2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile
SMILESCCS(=O)(=O)N1CC(CC#N)(C(C)C)C1
InChIInChI=1S/C10H18N2O2S/c1-4-15(13,14)12-7-10(8-12,5-6-11)9(2)3/h9H,4-5,7-8H2,1-3H3
InChIKeyQMPNTLICYBDNQS-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.21
Rot. Bonds4

About 2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile

2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile (PubChem CID 155599177) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile
PubChem CID155599177
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile
SMILESCCS(=O)(=O)N1CC(CC#N)(C(C)C)C1
InChIInChI=1S/C10H18N2O2S/c1-4-15(13,14)12-7-10(8-12,5-6-11)9(2)3/h9H,4-5,7-8H2,1-3H3
InChIKeyQMPNTLICYBDNQS-UHFFFAOYSA-N
XLogP1.21
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile?
The IUPAC name of 2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile (CID 155599177) is 2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile?
The canonical SMILES for 2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile is CCS(=O)(=O)N1CC(CC#N)(C(C)C)C1.
What is the InChIKey of 2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile?
The InChIKey is QMPNTLICYBDNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-4-15(13,14)12-7-10(8-12,5-6-11)9(2)3/h9H,4-5,7-8H2,1-3H3.
What are the key properties of 2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile?
2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile has a molecular weight of 230.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonyl-3-propan-2-ylazetidin-3-yl)acetonitrile is sourced from PubChem (CID 155599177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).