N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide

C12H26N2O3S — CID 55174885

IUPACN-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
SMILESCCCN(C(C)(C)CN)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C12H26N2O3S/c1-4-7-14(12(2,3)10-13)18(15,16)9-11-6-5-8-17-11/h11H,4-10,13H2,1-3H3
InChIKeyMQCIVBPGMKODHH-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.94
Rot. Bonds7

About N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide

N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide (PubChem CID 55174885) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
PubChem CID55174885
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide
SMILESCCCN(C(C)(C)CN)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C12H26N2O3S/c1-4-7-14(12(2,3)10-13)18(15,16)9-11-6-5-8-17-11/h11H,4-10,13H2,1-3H3
InChIKeyMQCIVBPGMKODHH-UHFFFAOYSA-N
XLogP0.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide (CID 55174885) is N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide is CCCN(C(C)(C)CN)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide?
The InChIKey is MQCIVBPGMKODHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-7-14(12(2,3)10-13)18(15,16)9-11-6-5-8-17-11/h11H,4-10,13H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-(oxolan-2-yl)-N-propylmethanesulfonamide is sourced from PubChem (CID 55174885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).