N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide

C12H24N2O4S — CID 66256718

IUPACN-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-3-5-13-11-9-18-8-10(11)12(15)14-6-4-7-19(2,16)17/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyRNDPVJXMVSRCGX-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.45
Rot. Bonds8

About N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide

N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66256718) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66256718
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-3-5-13-11-9-18-8-10(11)12(15)14-6-4-7-19(2,16)17/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyRNDPVJXMVSRCGX-UHFFFAOYSA-N
XLogP-0.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide
CID 113487594
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
CID 66256152
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255585
N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide
CID 66254845
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481
4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66257134
N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255397
4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide
CID 66259278
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide
CID 114154209

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide (CID 66256718) is N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCCCS(C)(=O)=O.
What is the InChIKey of N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is RNDPVJXMVSRCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-5-13-11-9-18-8-10(11)12(15)14-6-4-7-19(2,16)17/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide?
N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of -0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66256718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).