N-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide

C10H22N2O3S — CID 60909201

IUPACN-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC1(O)CCCCC1
InChIInChI=1S/C10H22N2O3S/c1-16(14,15)12-8-7-11-9-10(13)5-3-2-4-6-10/h11-13H,2-9H2,1H3
InChIKeyFYRFUGQCGRKCEM-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.18
Rot. Bonds6

About N-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide

N-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide (PubChem CID 60909201) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide
PubChem CID60909201
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCC1(O)CCCCC1
InChIInChI=1S/C10H22N2O3S/c1-16(14,15)12-8-7-11-9-10(13)5-3-2-4-6-10/h11-13H,2-9H2,1H3
InChIKeyFYRFUGQCGRKCEM-UHFFFAOYSA-N
XLogP-0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.18
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide (CID 60909201) is N-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCC1(O)CCCCC1.
What is the InChIKey of N-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide?
The InChIKey is FYRFUGQCGRKCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-16(14,15)12-8-7-11-9-10(13)5-3-2-4-6-10/h11-13H,2-9H2,1H3.
What are the key properties of N-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide?
N-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxycyclohexyl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 60909201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).