trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide

C10H16N2O3S — CID 57463497

IUPACtrans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide
SMILESN[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C1CC1
InChIInChI=1S/C10H16N2O3S/c11-10(5-8(10)6-1-2-6)9(13)12-16(14,15)7-3-4-7/h6-8H,1-5,11H2,(H,12,13)/t8-,10+/m0/s1
InChIKeyUSEZTAKBZCSESK-WCBMZHEXSA-N
MW244.32 g/mol
LogP-0.28
Rot. Bonds4

About trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide

trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide (PubChem CID 57463497) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide
PubChem CID57463497
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Nametrans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide
SMILESN[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C1CC1
InChIInChI=1S/C10H16N2O3S/c11-10(5-8(10)6-1-2-6)9(13)12-16(14,15)7-3-4-7/h6-8H,1-5,11H2,(H,12,13)/t8-,10+/m0/s1
InChIKeyUSEZTAKBZCSESK-WCBMZHEXSA-N
XLogP-0.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide (CID 57463497) is trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide is N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C1CC1.
What is the InChIKey of trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide?
The InChIKey is USEZTAKBZCSESK-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H16N2O3S/c11-10(5-8(10)6-1-2-6)9(13)12-16(14,15)7-3-4-7/h6-8H,1-5,11H2,(H,12,13)/t8-,10+/m0/s1.
What are the key properties of trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide?
trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide has a molecular weight of 244.32 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-amino-2-cyclopropyl-N-cyclopropylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 57463497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).