N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide

C10H22N2O3S — CID 131933547

IUPACN-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)NCC1(CO)CC1
InChIInChI=1S/C10H22N2O3S/c1-3-16(14,15)12-6-9(2)11-7-10(8-13)4-5-10/h9,11-13H,3-8H2,1-2H3
InChIKeyFXLPZISKZJMUGL-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.32
Rot. Bonds8

About N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide

N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide (PubChem CID 131933547) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide
PubChem CID131933547
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(C)NCC1(CO)CC1
InChIInChI=1S/C10H22N2O3S/c1-3-16(14,15)12-6-9(2)11-7-10(8-13)4-5-10/h9,11-13H,3-8H2,1-2H3
InChIKeyFXLPZISKZJMUGL-UHFFFAOYSA-N
XLogP-0.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 148887826
CID 148887826
ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate
CID 115454875
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide
CID 114749822
N-[(2S)-2-[(1-ethylcyclobutyl)methylamino]propyl]cyclopropanesulfonamide
CID 164640887
[1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol
CID 81344009
2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750802
[1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol
CID 116534943
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide
CID 113313239
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate
CID 115455438
1-cyclopropyl-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride
CID 120664757
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide
CID 115454582
4-[[[(2R)-1-(ethylsulfonylamino)propan-2-yl]amino]methyl]benzoic acid
CID 125447770

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide?
The IUPAC name of N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide (CID 131933547) is N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide?
The canonical SMILES for N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide is CCS(=O)(=O)NCC(C)NCC1(CO)CC1.
What is the InChIKey of N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide?
The InChIKey is FXLPZISKZJMUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-16(14,15)12-6-9(2)11-7-10(8-13)4-5-10/h9,11-13H,3-8H2,1-2H3.
What are the key properties of N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide?
N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of -0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide is sourced from PubChem (CID 131933547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).