5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide

C14H23N3O3S — CID 106063054

IUPAC5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NCC1CCOCC1)c1c[nH]c(CNC2CC2)c1
InChIInChI=1S/C14H23N3O3S/c18-21(19,17-8-11-3-5-20-6-4-11)14-7-13(16-10-14)9-15-12-1-2-12/h7,10-12,15-17H,1-6,8-9H2
InChIKeyDIPMXMKEWPZKOM-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.97
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106063054) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106063054
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NCC1CCOCC1)c1c[nH]c(CNC2CC2)c1
InChIInChI=1S/C14H23N3O3S/c18-21(19,17-8-11-3-5-20-6-4-11)14-7-13(16-10-14)9-15-12-1-2-12/h7,10-12,15-17H,1-6,8-9H2
InChIKeyDIPMXMKEWPZKOM-UHFFFAOYSA-N
XLogP0.97
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106089998
5-[(cyclopropylamino)methyl]-N-(1,4-dithian-2-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 106078485
N-(cyclobutylmethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106024324
5-[(cyclopropylamino)methyl]-N-(3-methoxy-2-methylpropyl)-1H-pyrrole-3-sulfonamide
CID 106050867
N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55226077
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-sulfonamide
CID 106035255
5-[(cyclopropylamino)methyl]-N-(2-iodophenyl)-1H-pyrrole-3-sulfonamide
CID 106030303
5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106052912
5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide
CID 114135299
5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106002154
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
N-[(3-methylcyclopentyl)methyl]-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106089929

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide (CID 106063054) is 5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide is O=S(=O)(NCC1CCOCC1)c1c[nH]c(CNC2CC2)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is DIPMXMKEWPZKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c18-21(19,17-8-11-3-5-20-6-4-11)14-7-13(16-10-14)9-15-12-1-2-12/h7,10-12,15-17H,1-6,8-9H2.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(oxan-4-ylmethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106063054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).