N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide

C10H22F2N2O2S — CID 62008455

IUPACN-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C(CC)(CC)CN)S(=O)(=O)C(F)F
InChIInChI=1S/C10H22F2N2O2S/c1-4-7-14(17(15,16)9(11)12)10(5-2,6-3)8-13/h9H,4-8,13H2,1-3H3
InChIKeyMOHKYMJCGLGTQV-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.77
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide (PubChem CID 62008455) has the molecular formula C10H22F2N2O2S and a molecular weight of 272.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide
PubChem CID62008455
Molecular FormulaC10H22F2N2O2S
Molecular Weight272.36 g/mol
Exact Mass272.14
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C(CC)(CC)CN)S(=O)(=O)C(F)F
InChIInChI=1S/C10H22F2N2O2S/c1-4-7-14(17(15,16)9(11)12)10(5-2,6-3)8-13/h9H,4-8,13H2,1-3H3
InChIKeyMOHKYMJCGLGTQV-UHFFFAOYSA-N
XLogP1.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide (CID 62008455) is N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide is CCCN(C(CC)(CC)CN)S(=O)(=O)C(F)F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide?
The InChIKey is MOHKYMJCGLGTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22F2N2O2S/c1-4-7-14(17(15,16)9(11)12)10(5-2,6-3)8-13/h9H,4-8,13H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide has a molecular weight of 272.36 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide is sourced from PubChem (CID 62008455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).