N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide

C13H27N3O4S — CID 66254845

IUPACN-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C13H27N3O4S/c1-5-6-14-11-8-20-7-10(11)12(17)15-9-13(2,3)16-21(4,18)19/h10-11,14,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyTVIQGDIRICDKTH-UHFFFAOYSA-N
MW321.44 g/mol
LogP-0.56
Rot. Bonds8

About N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide

N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66254845) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide
PubChem CID66254845
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC NameN-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C13H27N3O4S/c1-5-6-14-11-8-20-7-10(11)12(17)15-9-13(2,3)16-21(4,18)19/h10-11,14,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyTVIQGDIRICDKTH-UHFFFAOYSA-N
XLogP-0.56
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide
CID 114154209
N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256718
4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66257134
4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide
CID 79549781
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
N-(1-methoxy-2-methylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide
CID 113470440
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255397
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 113307998
N-[(1-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66257137

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide (CID 66254845) is N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is TVIQGDIRICDKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-5-6-14-11-8-20-7-10(11)12(17)15-9-13(2,3)16-21(4,18)19/h10-11,14,16H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide?
N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 321.44 g/mol, XLogP of -0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66254845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).