N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide

C13H27N3O3S — CID 131925098

IUPACN-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@H]1COC[C@@H]1N1CCN(C)CC1
InChIInChI=1S/C13H27N3O3S/c1-3-4-9-20(17,18)14-12-10-19-11-13(12)16-7-5-15(2)6-8-16/h12-14H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyVLCFGAIINMQAGL-STQMWFEESA-N
MW305.44 g/mol
LogP-0.28
Rot. Bonds6

About N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide

N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide (PubChem CID 131925098) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide
PubChem CID131925098
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@H]1COC[C@@H]1N1CCN(C)CC1
InChIInChI=1S/C13H27N3O3S/c1-3-4-9-20(17,18)14-12-10-19-11-13(12)16-7-5-15(2)6-8-16/h12-14H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyVLCFGAIINMQAGL-STQMWFEESA-N
XLogP-0.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide?
The IUPAC name of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide (CID 131925098) is N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide?
The canonical SMILES for N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@H]1COC[C@@H]1N1CCN(C)CC1.
What is the InChIKey of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide?
The InChIKey is VLCFGAIINMQAGL-STQMWFEESA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-3-4-9-20(17,18)14-12-10-19-11-13(12)16-7-5-15(2)6-8-16/h12-14H,3-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide?
N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]butane-1-sulfonamide is sourced from PubChem (CID 131925098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).