[4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine

C9H18N2O3S — CID 64989827

IUPAC[4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine
SMILESNCC1CN(S(=O)(=O)CC2CC2)CCO1
InChIInChI=1S/C9H18N2O3S/c10-5-9-6-11(3-4-14-9)15(12,13)7-8-1-2-8/h8-9H,1-7,10H2
InChIKeyLRGGKHOTHSITDE-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.61
Rot. Bonds4

About [4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine

[4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine (PubChem CID 64989827) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is [4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine
PubChem CID64989827
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name[4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine
SMILESNCC1CN(S(=O)(=O)CC2CC2)CCO1
InChIInChI=1S/C9H18N2O3S/c10-5-9-6-11(3-4-14-9)15(12,13)7-8-1-2-8/h8-9H,1-7,10H2
InChIKeyLRGGKHOTHSITDE-UHFFFAOYSA-N
XLogP-0.61
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine (CID 64989827) is [4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine is NCC1CN(S(=O)(=O)CC2CC2)CCO1.
What is the InChIKey of [4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine?
The InChIKey is LRGGKHOTHSITDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c10-5-9-6-11(3-4-14-9)15(12,13)7-8-1-2-8/h8-9H,1-7,10H2.
What are the key properties of [4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine?
[4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine has a molecular weight of 234.32 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 64989827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).