cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide

C8H14N2O3S — CID 70791228

IUPACcis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C8H14N2O3S/c1-5-4-8(5,9)7(11)10-14(12,13)6-2-3-6/h5-6H,2-4,9H2,1H3,(H,10,11)/t5-,8-/m1/s1
InChIKeyGMVYIMHQJMKRKQ-SVGQVSJJSA-N
MW218.28 g/mol
LogP-0.67
Rot. Bonds3

About cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide

cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide (PubChem CID 70791228) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide
PubChem CID70791228
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Namecis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1CC1
InChIInChI=1S/C8H14N2O3S/c1-5-4-8(5,9)7(11)10-14(12,13)6-2-3-6/h5-6H,2-4,9H2,1H3,(H,10,11)/t5-,8-/m1/s1
InChIKeyGMVYIMHQJMKRKQ-SVGQVSJJSA-N
XLogP-0.67
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide (CID 70791228) is cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1CC1.
What is the InChIKey of cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide?
The InChIKey is GMVYIMHQJMKRKQ-SVGQVSJJSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-5-4-8(5,9)7(11)10-14(12,13)6-2-3-6/h5-6H,2-4,9H2,1H3,(H,10,11)/t5-,8-/m1/s1.
What are the key properties of cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide?
cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide has a molecular weight of 218.28 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 70791228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).