N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide

C24H50N2O4S — CID 67576350

IUPACN-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCS(=O)(=O)N[C@@H](CN[C@H]1CCOC1O)CC(C)C
InChIInChI=1S/C24H50N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-31(28,29)26-22(19-21(2)3)20-25-23-16-17-30-24(23)27/h21-27H,4-20H2,1-3H3/t22-,23+,24?/m1/s1
InChIKeyPPEXNMMOECLXNI-NHIDMIJISA-N
MW462.74 g/mol
LogP4.72
Rot. Bonds20

About N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide

N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide (PubChem CID 67576350) has the molecular formula C24H50N2O4S and a molecular weight of 462.74 g/mol. Its IUPAC name is N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide
PubChem CID67576350
Molecular FormulaC24H50N2O4S
Molecular Weight462.74 g/mol
Exact Mass462.35
IUPAC NameN-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCS(=O)(=O)N[C@@H](CN[C@H]1CCOC1O)CC(C)C
InChIInChI=1S/C24H50N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-31(28,29)26-22(19-21(2)3)20-25-23-16-17-30-24(23)27/h21-27H,4-20H2,1-3H3/t22-,23+,24?/m1/s1
InChIKeyPPEXNMMOECLXNI-NHIDMIJISA-N
XLogP4.72
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.74
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide?
The IUPAC name of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide (CID 67576350) is N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide?
The canonical SMILES for N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide is CCCCCCCCCCCCCCS(=O)(=O)N[C@@H](CN[C@H]1CCOC1O)CC(C)C.
What is the InChIKey of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide?
The InChIKey is PPEXNMMOECLXNI-NHIDMIJISA-N. The full InChI is InChI=1S/C24H50N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-31(28,29)26-22(19-21(2)3)20-25-23-16-17-30-24(23)27/h21-27H,4-20H2,1-3H3/t22-,23+,24?/m1/s1.
What are the key properties of N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide?
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide has a molecular weight of 462.74 g/mol, XLogP of 4.72, 20 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide is sourced from PubChem (CID 67576350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).