N-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide

C7H16F2N2O2S — CID 43136966

IUPACN-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-6(2)11(5-3-4-10)14(12,13)7(8)9/h6-7H,3-5,10H2,1-2H3
InChIKeyGTIPKTLXXIDZSI-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.60
Rot. Bonds6

About N-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide

N-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide (PubChem CID 43136966) has the molecular formula C7H16F2N2O2S and a molecular weight of 230.28 g/mol. Its IUPAC name is N-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
PubChem CID43136966
Molecular FormulaC7H16F2N2O2S
Molecular Weight230.28 g/mol
Exact Mass230.09
IUPAC NameN-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-6(2)11(5-3-4-10)14(12,13)7(8)9/h6-7H,3-5,10H2,1-2H3
InChIKeyGTIPKTLXXIDZSI-UHFFFAOYSA-N
XLogP0.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide (CID 43136966) is N-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide is CC(C)N(CCCN)S(=O)(=O)C(F)F.
What is the InChIKey of N-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
The InChIKey is GTIPKTLXXIDZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O2S/c1-6(2)11(5-3-4-10)14(12,13)7(8)9/h6-7H,3-5,10H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide?
N-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide has a molecular weight of 230.28 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 43136966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).