3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol

C6H12F2N2O3S — CID 104919650

IUPAC3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol
SMILESO=S(=O)(NCC(F)(F)CO)NC1CC1
InChIInChI=1S/C6H12F2N2O3S/c7-6(8,4-11)3-9-14(12,13)10-5-1-2-5/h5,9-11H,1-4H2
InChIKeyMHSGUJCCRNLFEV-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.80
Rot. Bonds6

About 3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol

3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol (PubChem CID 104919650) has the molecular formula C6H12F2N2O3S and a molecular weight of 230.24 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol
PubChem CID104919650
Molecular FormulaC6H12F2N2O3S
Molecular Weight230.24 g/mol
Exact Mass230.05
IUPAC Name3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol
SMILESO=S(=O)(NCC(F)(F)CO)NC1CC1
InChIInChI=1S/C6H12F2N2O3S/c7-6(8,4-11)3-9-14(12,13)10-5-1-2-5/h5,9-11H,1-4H2
InChIKeyMHSGUJCCRNLFEV-UHFFFAOYSA-N
XLogP-0.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol (CID 104919650) is 3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol is O=S(=O)(NCC(F)(F)CO)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol?
The InChIKey is MHSGUJCCRNLFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O3S/c7-6(8,4-11)3-9-14(12,13)10-5-1-2-5/h5,9-11H,1-4H2.
What are the key properties of 3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol?
3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol has a molecular weight of 230.24 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104919650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).