2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide

C10H22N2O3S — CID 114385267

IUPAC2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1(O)CCCCCC1
InChIInChI=1S/C10H22N2O3S/c11-16(14,15)8-7-12-9-10(13)5-3-1-2-4-6-10/h12-13H,1-9H2,(H2,11,14,15)
InChIKeyQUSCQUXCFKSHAN-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.05
Rot. Bonds5

About 2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide

2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide (PubChem CID 114385267) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide
PubChem CID114385267
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1(O)CCCCCC1
InChIInChI=1S/C10H22N2O3S/c11-16(14,15)8-7-12-9-10(13)5-3-1-2-4-6-10/h12-13H,1-9H2,(H2,11,14,15)
InChIKeyQUSCQUXCFKSHAN-UHFFFAOYSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-Methylsulfonylpropylamino)methyl]cycloheptan-1-ol
CID 54905417
1-[[(1,1-Dioxothian-4-yl)amino]methyl]cycloheptan-1-ol
CID 54938060
N-[2-[(1-hydroxycycloheptyl)methylamino]ethyl]methanesulfonamide
CID 54938766
1-[[(1,1-Dioxothiolan-3-yl)amino]methyl]cycloheptan-1-ol
CID 60710478
1-[[(1,1-Dioxothiolan-3-yl)methylamino]methyl]cycloheptan-1-ol
CID 60734168
1-[[(1-Methylsulfonylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60908597
1-[(2-Methylsulfonylethylamino)methyl]cycloheptan-1-ol
CID 60918602
N-ethyl-N-[3-[(1-hydroxycycloheptyl)methylamino]propyl]methanesulfonamide
CID 61013796
N-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63860568
1-[[(1,1-Dioxothian-3-yl)amino]methyl]cycloheptan-1-ol
CID 63924131
1-[(1-Methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol
CID 64643391
N-[(1-hydroxycycloheptyl)methyl]ethanesulfonamide
CID 64723362

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide?
The IUPAC name of 2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide (CID 114385267) is 2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide?
The canonical SMILES for 2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide is NS(=O)(=O)CCNCC1(O)CCCCCC1.
What is the InChIKey of 2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide?
The InChIKey is QUSCQUXCFKSHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c11-16(14,15)8-7-12-9-10(13)5-3-1-2-4-6-10/h12-13H,1-9H2,(H2,11,14,15).
What are the key properties of 2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide?
2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycycloheptyl)methylamino]ethanesulfonamide is sourced from PubChem (CID 114385267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).